4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide

C22H21N3O3 — CID 9083996

IUPAC4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-20-13-11-19(12-14-20)25-22(27)16-7-9-17(10-8-16)23-15-21(26)24-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXNQIOUUMPJIVLW-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.00
Rot. Bonds7

About 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide

4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9083996) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9083996
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-20-13-11-19(12-14-20)25-22(27)16-7-9-17(10-8-16)23-15-21(26)24-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXNQIOUUMPJIVLW-UHFFFAOYSA-N
XLogP4.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide (CID 9083996) is 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is XNQIOUUMPJIVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-20-13-11-19(12-14-20)25-22(27)16-7-9-17(10-8-16)23-15-21(26)24-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9083996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).