4-methyl-N-(2-oxodecan-3-yl)benzamide

C18H27NO2 — CID 174640324

IUPAC4-methyl-N-(2-oxodecan-3-yl)benzamide
SMILESCCCCCCCC(NC(=O)c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C18H27NO2/c1-4-5-6-7-8-9-17(15(3)20)19-18(21)16-12-10-14(2)11-13-16/h10-13,17H,4-9H2,1-3H3,(H,19,21)
InChIKeyUXZZKHJUNSWIPU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.04
Rot. Bonds9

About 4-methyl-N-(2-oxodecan-3-yl)benzamide

4-methyl-N-(2-oxodecan-3-yl)benzamide (PubChem CID 174640324) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-N-(2-oxodecan-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxodecan-3-yl)benzamide
PubChem CID174640324
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-methyl-N-(2-oxodecan-3-yl)benzamide
SMILESCCCCCCCC(NC(=O)c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C18H27NO2/c1-4-5-6-7-8-9-17(15(3)20)19-18(21)16-12-10-14(2)11-13-16/h10-13,17H,4-9H2,1-3H3,(H,19,21)
InChIKeyUXZZKHJUNSWIPU-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(2-oxodecan-3-yl)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-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
CID 70883939
pentadecyl 4-methyl-2-[(4-methylbenzoyl)amino]pentanoate
CID 91710762
2-(4-methylanilino)nonanoic acid
CID 63524441
N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
CID 126449357
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-(4-methylanilino)heptanoic acid
CID 54889807
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate
CID 3693234
2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
CID 165361446
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxodecan-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-oxodecan-3-yl)benzamide (CID 174640324) is 4-methyl-N-(2-oxodecan-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxodecan-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxodecan-3-yl)benzamide is CCCCCCCC(NC(=O)c1ccc(C)cc1)C(C)=O.
What is the InChIKey of 4-methyl-N-(2-oxodecan-3-yl)benzamide?
The InChIKey is UXZZKHJUNSWIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-17(15(3)20)19-18(21)16-12-10-14(2)11-13-16/h10-13,17H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-(2-oxodecan-3-yl)benzamide?
4-methyl-N-(2-oxodecan-3-yl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxodecan-3-yl)benzamide is sourced from PubChem (CID 174640324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).