2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C22H21N3O3 — CID 55355003

IUPAC2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c1-28-18-11-7-10-17(14-18)24-21(26)15-23-20-13-6-5-12-19(20)22(27)25-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyOLKFEEXAXQOGFG-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.00
Rot. Bonds7

About 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide

2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 55355003) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID55355003
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c1-28-18-11-7-10-17(14-18)24-21(26)15-23-20-13-6-5-12-19(20)22(27)25-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyOLKFEEXAXQOGFG-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-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 55355003) is 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide is COc1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is OLKFEEXAXQOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-18-11-7-10-17(14-18)24-21(26)15-23-20-13-6-5-12-19(20)22(27)25-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide 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-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 55355003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).