benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate

C24H25NO3 — CID 10883306

IUPACbenzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESC[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(23(26)22-15-9-4-10-16-22)25(17-20-11-5-2-6-12-20)24(27)28-18-21-13-7-3-8-14-21/h2-16,19,23,26H,17-18H2,1H3/t19-,23-/m0/s1
InChIKeySARUCUVPIZFZKR-CVDCTZTESA-N
MW375.47 g/mol
LogP4.95
Rot. Bonds7

About benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate

benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate (PubChem CID 10883306) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
PubChem CID10883306
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namebenzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESC[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(23(26)22-15-9-4-10-16-22)25(17-20-11-5-2-6-12-20)24(27)28-18-21-13-7-3-8-14-21/h2-16,19,23,26H,17-18H2,1H3/t19-,23-/m0/s1
InChIKeySARUCUVPIZFZKR-CVDCTZTESA-N
XLogP4.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-benzyl-N-[(2S)-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 10741394
1-benzyl-3-diazo-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 46217126
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
benzyl N-[(E,2R)-2-hydroxypent-3-enyl]-N-propan-2-ylcarbamate
CID 10869586
benzyl N-benzyl-N-[(E)-7-methoxy-5-phenylhept-6-en-2-yl]carbamate
CID 70968699
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
CID 174054099
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
2-[benzyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 14887414
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate (CID 10883306) is benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate is C[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is SARUCUVPIZFZKR-CVDCTZTESA-N. The full InChI is InChI=1S/C24H25NO3/c1-19(23(26)22-15-9-4-10-16-22)25(17-20-11-5-2-6-12-20)24(27)28-18-21-13-7-3-8-14-21/h2-16,19,23,26H,17-18H2,1H3/t19-,23-/m0/s1.
What are the key properties of benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10883306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).