3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate
Basic information
- CAS
4849-31-4- Standard SMILES
CC(C)CNC(=O)Oc1cccc(NC(=O)N(C)C)c1- InChIKey
BFXLQAXFPODEJD-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Names & identifiers
- Preferred name
- 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate
- IUPAC
- [3-(dimethylcarbamoylamino)phenyl] N-(2-methylpropyl)carbamate
- English name
- N-(2-Methylpropyl)carbamic acid 3-[[(dimethylamino)carbonyl]amino]phenyl ester
- Molecular formula
- C14H21N3O3
- Molecular weight
- 279.33
Names & synonyms
4849-31-4Carbamic acid, isobutyl-, m-(3,3-dimethylureido)phenyl ester7Z7D6DLR8Tm-(3,3-Dimethylureido)phenyl isobutylcarbamateNSC 222500BRN 2873482Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, isobutylcarbamate (ester)UNII-7Z7D6DLR8TNSC-222500Carbamic acid, isobutyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylureaUrea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, isobutylcarbamateDTXSID70197537
Show more names
1,1-Dimethyl-3-(m-hydroxyphenyl)urea isobutylcarbamateN-(2-Methylpropyl)carbamic acid 3-[[(dimethylamino)carbonyl]amino]phenyl esterCarbamic acid, isobutyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea (7CI,8CI)
3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamateRefChem:198210DTXCID30120028Carbamic acid, isobutyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea (8CI)NSC222500SCHEMBL11178007Urea,1-dimethyl-3-(m-hydroxyphenyl)-, isobutylcarbamate3-[(Dimethylcarbamoyl)amino]phenyl (2-methylpropyl)carbamate
Database identifiers
- CAS
4849-31-4- PubChem CID
- 99417
- DTXSID
DTXSID70197537- UNII
- 7Z7D6DLR8T
- Nikkaji
- J48.915H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 441 · 441.0±41.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 12.32 · 12.32±0.46(Predicted)
- FDA UNII
- 7 Z7D6DLR8T · 7Z7D6DLR8T
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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