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

C22H21N3O3 — CID 9105493

IUPAC2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-18-13-11-17(12-14-18)25-22(27)19-9-5-6-10-20(19)23-15-21(26)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyJSTNGOGNKIAJPE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.00
Rot. Bonds7

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

2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9105493) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9105493
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-18-13-11-17(12-14-18)25-22(27)19-9-5-6-10-20(19)23-15-21(26)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyJSTNGOGNKIAJPE-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

N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide (CID 9105493) is 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is JSTNGOGNKIAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-18-13-11-17(12-14-18)25-22(27)19-9-5-6-10-20(19)23-15-21(26)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide?
2-[(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 2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9105493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).