N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide

C18H18N2O3 — CID 108984777

IUPACN'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-5-3-6-14(9-12)11-19-17(22)18(23)20-16-8-4-7-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGAUKSQMFJKNTNP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.45
Rot. Bonds4

About N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide

N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide (PubChem CID 108984777) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
PubChem CID108984777
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-5-3-6-14(9-12)11-19-17(22)18(23)20-16-8-4-7-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGAUKSQMFJKNTNP-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
CID 71894677
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155929
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327646

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide (CID 108984777) is N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The InChIKey is GAUKSQMFJKNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-3-6-14(9-12)11-19-17(22)18(23)20-16-8-4-7-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide has a molecular weight of 310.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108984777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).