N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C28H32N2O2 — CID 2452944

IUPACN-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H32N2O2/c1-20(2)18-22-14-16-23(17-15-22)21(3)29-27(31)19-26(24-10-6-4-7-11-24)30-28(32)25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3,(H,29,31)(H,30,32)/t21-,26+/m1/s1
InChIKeyUZOPGBATXQGZCK-RLWLMLJZSA-N
MW428.58 g/mol
LogP5.62
Rot. Bonds9

About N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2452944) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID2452944
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H32N2O2/c1-20(2)18-22-14-16-23(17-15-22)21(3)29-27(31)19-26(24-10-6-4-7-11-24)30-28(32)25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3,(H,29,31)(H,30,32)/t21-,26+/m1/s1
InChIKeyUZOPGBATXQGZCK-RLWLMLJZSA-N
XLogP5.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide 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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
2-[(3-benzamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119188451
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
3-benzamido-3-phenylpropanoic acid
CID 2834576

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 2452944) is N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is UZOPGBATXQGZCK-RLWLMLJZSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-20(2)18-22-14-16-23(17-15-22)21(3)29-27(31)19-26(24-10-6-4-7-11-24)30-28(32)25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3,(H,29,31)(H,30,32)/t21-,26+/m1/s1.
What are the key properties of N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2452944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).