N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide

C24H25N3O2 — CID 48500520

IUPACN-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
SMILESCC(Nc1ccc(NC(=O)CN(C)C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-18(19-9-5-3-6-10-19)25-21-13-15-22(16-14-21)26-23(28)17-27(2)24(29)20-11-7-4-8-12-20/h3-16,18,25H,17H2,1-2H3,(H,26,28)
InChIKeyKLLLWQZZCIKJDS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.57
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide

N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide (PubChem CID 48500520) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
PubChem CID48500520
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
SMILESCC(Nc1ccc(NC(=O)CN(C)C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-18(19-9-5-3-6-10-19)25-21-13-15-22(16-14-21)26-23(28)17-27(2)24(29)20-11-7-4-8-12-20/h3-16,18,25H,17H2,1-2H3,(H,26,28)
InChIKeyKLLLWQZZCIKJDS-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
2-[(2-phenoxyacetyl)amino]-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987173
N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55567017
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 86923192
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide (CID 48500520) is N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide is CC(Nc1ccc(NC(=O)CN(C)C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide?
The InChIKey is KLLLWQZZCIKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18(19-9-5-3-6-10-19)25-21-13-15-22(16-14-21)26-23(28)17-27(2)24(29)20-11-7-4-8-12-20/h3-16,18,25H,17H2,1-2H3,(H,26,28).
What are the key properties of N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide?
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide is sourced from PubChem (CID 48500520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).