N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide

C17H17N3O4 — CID 45001359

IUPACN-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-2-24-14-9-7-13(8-10-14)20-17(23)16(22)19-12-5-3-11(4-6-12)15(18)21/h3-10H,2H2,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyWHGMJZSQZGBTDE-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.76
Rot. Bonds5

About N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide

N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide (PubChem CID 45001359) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
PubChem CID45001359
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-2-24-14-9-7-13(8-10-14)20-17(23)16(22)19-12-5-3-11(4-6-12)15(18)21/h3-10H,2H2,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyWHGMJZSQZGBTDE-UHFFFAOYSA-N
XLogP1.76
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.76
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-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
4-(4-ethoxyphenyl)benzamide
CID 163572533
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
benzamide;1,4-diethoxybenzene
CID 162120306
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide (CID 45001359) is N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is WHGMJZSQZGBTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-24-14-9-7-13(8-10-14)20-17(23)16(22)19-12-5-3-11(4-6-12)15(18)21/h3-10H,2H2,1H3,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 45001359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).