Basic information
- CAS
31755-12-1- Standard SMILES
Cc1cccc(C)c1NC(=O)OC1CCN(C(C)C)C1- InChIKey
CEQUUCYPMIWLLU-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester
- IUPAC
- (1-propan-2-ylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-isopropyl-3-pyrrolidinyl ester
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
31755-12-1CARBANILIC ACID, 2,6-DIMETHYL-, N-ISOPROPYL-3-PYRROLIDINYL ESTERRefChem:1081054BRN 1541485N-Isopropyl-3-pyrrolidyl 2,6-dimethylphenylcarbamateN-Isopropyl-3-pyrrolidinyl 2,6-dimethylcarbanilate2,6-Dimethylcarbanilic acid, N-isopropyl-3-pyrrolidinyl esterDTXSID70953690N-(2,6-Dimethylphenyl)carbamic acid 1-isopropyl-3-pyrrolidinyl ester1-(Propan-2-yl)pyrrolidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateCarbamic acid, (2,6-dimethylphenyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
31755-12-1- PubChem CID
- 35895
- DTXSID
DTXSID70953690- Nikkaji
- J42.839F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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