N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide

C17H18N2O2 — CID 86919833

IUPACN'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-6-8-15(9-7-12)19-17(21)16(20)18-11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQALPPPNWCIBZGK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds3

About N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide

N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide (PubChem CID 86919833) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
PubChem CID86919833
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-6-8-15(9-7-12)19-17(21)16(20)18-11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQALPPPNWCIBZGK-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
CID 71894677
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide (CID 86919833) is N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The InChIKey is QALPPPNWCIBZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-6-8-15(9-7-12)19-17(21)16(20)18-11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide?
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide has a molecular weight of 282.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 86919833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).