N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide

C19H22N2O2 — CID 108984747

IUPACN-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)11-20-18(22)19(23)21-17-14(3)8-13(2)9-15(17)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXVMJEZDAFUFDJG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.18
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108984747) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108984747
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)11-20-18(22)19(23)21-17-14(3)8-13(2)9-15(17)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXVMJEZDAFUFDJG-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.18
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'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
(3-methylphenyl)methylurea
CID 60776531
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 108984747) is N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is XVMJEZDAFUFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)11-20-18(22)19(23)21-17-14(3)8-13(2)9-15(17)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 310.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108984747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).