(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide

C41H44N2O2 — CID 145264220

IUPAC(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C41H44N2O2/c1-32(41(45)38-21-13-6-14-22-38)42(2)40(44)28-27-39(29-33-23-25-37(26-24-33)36-19-11-5-12-20-36)43(30-34-15-7-3-8-16-34)31-35-17-9-4-10-18-35/h3-26,32,39,41,45H,27-31H2,1-2H3/t32-,39+,41+/m1/s1
InChIKeySVOANCWUIVWCSU-HTRMOJQNSA-N
MW596.82 g/mol
LogP8.33
Rot. Bonds14

About (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide

(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide (PubChem CID 145264220) has the molecular formula C41H44N2O2 and a molecular weight of 596.82 g/mol. Its IUPAC name is (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide
PubChem CID145264220
Molecular FormulaC41H44N2O2
Molecular Weight596.82 g/mol
Exact Mass596.34
IUPAC Name(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C41H44N2O2/c1-32(41(45)38-21-13-6-14-22-38)42(2)40(44)28-27-39(29-33-23-25-37(26-24-33)36-19-11-5-12-20-36)43(30-34-15-7-3-8-16-34)31-35-17-9-4-10-18-35/h3-26,32,39,41,45H,27-31H2,1-2H3/t32-,39+,41+/m1/s1
InChIKeySVOANCWUIVWCSU-HTRMOJQNSA-N
XLogP8.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide 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

(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide
CID 126622329
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24938979
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
tert-butyl N-[(2R,3S)-3-hydroxy-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-1-phenylpentan-2-yl]-N-methylcarbamate
CID 51031967
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
CID 145483279
(2S)-4-(dibenzylamino)-5-(4-phenylphenyl)-2-propan-2-yl-1-pyrrolidin-1-ylpentan-1-one
CID 126641412

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide?
The IUPAC name of (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide (CID 145264220) is (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide.
What is the SMILES notation for (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide?
The canonical SMILES for (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide is C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide?
The InChIKey is SVOANCWUIVWCSU-HTRMOJQNSA-N. The full InChI is InChI=1S/C41H44N2O2/c1-32(41(45)38-21-13-6-14-22-38)42(2)40(44)28-27-39(29-33-23-25-37(26-24-33)36-19-11-5-12-20-36)43(30-34-15-7-3-8-16-34)31-35-17-9-4-10-18-35/h3-26,32,39,41,45H,27-31H2,1-2H3/t32-,39+,41+/m1/s1.
What are the key properties of (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide?
(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide has a molecular weight of 596.82 g/mol, XLogP of 8.33, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 145264220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).