N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide

C17H17N3O4 — CID 45001353

IUPACN-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-10-3-8-14(24-2)13(9-10)20-17(23)16(22)19-12-6-4-11(5-7-12)15(18)21/h3-9H,1-2H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyFNTGXUWHFWNKJC-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.68
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide

N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 45001353) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID45001353
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-10-3-8-14(24-2)13(9-10)20-17(23)16(22)19-12-6-4-11(5-7-12)15(18)21/h3-9H,1-2H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyFNTGXUWHFWNKJC-UHFFFAOYSA-N
XLogP1.68
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-(4-amino-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 155119428
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (CID 45001353) is N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is FNTGXUWHFWNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-3-8-14(24-2)13(9-10)20-17(23)16(22)19-12-6-4-11(5-7-12)15(18)21/h3-9H,1-2H3,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 45001353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).