1,1-Diethyl-3-phenethyl-3-((1-phenethyl-3-pyrrolidinyl)methyl)urea
Basic information
- CAS
30380-59-7- Standard SMILES
CCN(CC)C(=O)N(CCc1ccccc1)CC1CCN(CCc2ccccc2)C1- InChIKey
MEHQXSOURNVYTF-UHFFFAOYSA-N- Molecular formula
- C26H37N3O
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.29366281
Names & identifiers
- Preferred name
- 1,1-Diethyl-3-phenethyl-3-((1-phenethyl-3-pyrrolidinyl)methyl)urea
- IUPAC
- 1,1-diethyl-3-(2-phenylethyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
- English name
- 1,1-Diethyl-3-phenethyl-3-[(1-phenethyl-3-pyrrolidinyl)methyl]urea
- Molecular formula
- C26H37N3O
- Molecular weight
- 407.59
Names & synonyms
30380-59-71,1-Diethyl-3-phenethyl-3-((1-phenethyl-3-pyrrolidinyl)methyl)urea1,1-Diethyl-3-phenethyl-3-[(1-phenethyl-3-pyrrolidinyl)methyl]ureaBRN 4012401Urea, 1,1-diethyl-3-phenethyl-3-((1-phenethyl-3-pyrrolidinyl)methyl)-DTXSID70952724N,N-Diethyl-N'-(2-phenylethyl)-N'-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}ureaUrea, N,N-diethyl-N'-(2-phenylethyl)-N'-[[1-(2-phenylethyl)-3-pyrrolidinyl]methyl]-
Database identifiers
- CAS
30380-59-7- PubChem CID
- 207649
- DTXSID
DTXSID70952724- Nikkaji
- J49.548D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 547 · 547.0±33.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 10.45 · 10.45±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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