N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

C25H25N3O3 — CID 9276070

IUPACN-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H25N3O3/c1-17-13-14-21(18(2)15-17)25(31)28-27-23(29)16-22(19-9-5-3-6-10-19)26-24(30)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)/t22-/m0/s1
InChIKeyXMXXHCZWASDFQL-QFIPXVFZSA-N
MW415.49 g/mol
LogP3.63
Rot. Bonds6

About N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 9276070) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID9276070
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H25N3O3/c1-17-13-14-21(18(2)15-17)25(31)28-27-23(29)16-22(19-9-5-3-6-10-19)26-24(30)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)/t22-/m0/s1
InChIKeyXMXXHCZWASDFQL-QFIPXVFZSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-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-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503850
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (CID 9276070) is N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is XMXXHCZWASDFQL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-13-14-21(18(2)15-17)25(31)28-27-23(29)16-22(19-9-5-3-6-10-19)26-24(30)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)/t22-/m0/s1.
What are the key properties of N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 9276070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).