N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide

C17H17N3O3 — CID 108518149

IUPACN'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H17N3O3/c1-11-6-8-12(9-7-11)10-19-16(22)17(23)20-15(21)13-4-2-3-5-14(13)18/h2-9H,10,18H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUHVFELORIGCGDO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.15
Rot. Bonds3

About N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide

N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 108518149) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID108518149
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H17N3O3/c1-11-6-8-12(9-7-11)10-19-16(22)17(23)20-15(21)13-4-2-3-5-14(13)18/h2-9H,10,18H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUHVFELORIGCGDO-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
ethane;N-[(4-methylphenyl)methylcarbamoyl]-2-sulfanylbenzamide
CID 142955508
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide (CID 108518149) is N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NC(=O)c2ccccc2N)cc1.
What is the InChIKey of N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is UHVFELORIGCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-6-8-12(9-7-11)10-19-16(22)17(23)20-15(21)13-4-2-3-5-14(13)18/h2-9H,10,18H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 311.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108518149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).