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

C22H21N3O3 — CID 108514453

IUPACN-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-14-12-19(13-15-20)25-22(27)21(26)24-18-10-8-17(9-11-18)23-16-6-4-3-5-7-16/h3-15,23H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBVFDMCMLUNEMZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.41
Rot. Bonds6

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

N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide (PubChem CID 108514453) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
PubChem CID108514453
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-14-12-19(13-15-20)25-22(27)21(26)24-18-10-8-17(9-11-18)23-16-6-4-3-5-7-16/h3-15,23H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBVFDMCMLUNEMZ-UHFFFAOYSA-N
XLogP4.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.41
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-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide (CID 108514453) is N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is XBVFDMCMLUNEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-28-20-14-12-19(13-15-20)25-22(27)21(26)24-18-10-8-17(9-11-18)23-16-6-4-3-5-7-16/h3-15,23H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide?
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 375.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 108514453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).