N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide

C19H22N2O2 — CID 40977221

IUPACN'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-13-9-10-17(14(2)11-13)21-19(23)18(22)20-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyUQHZZDXWRUMAQB-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds4

About N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide

N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide (PubChem CID 40977221) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
PubChem CID40977221
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-13-9-10-17(14(2)11-13)21-19(23)18(22)20-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyUQHZZDXWRUMAQB-OAHLLOKOSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide 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'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248607
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide (CID 40977221) is N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide?
The InChIKey is UQHZZDXWRUMAQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-9-10-17(14(2)11-13)21-19(23)18(22)20-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide?
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide has a molecular weight of 310.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide is sourced from PubChem (CID 40977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).