N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide

C25H25N3O2 — CID 24624066

IUPACN-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
SMILESCc1ccc(NC(=O)C(Nc2ccc(C(=O)NC3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-11-21(12-8-17)28-25(30)23(18-5-3-2-4-6-18)26-20-13-9-19(10-14-20)24(29)27-22-15-16-22/h2-14,22-23,26H,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyKQSIYAIZXTYCEA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.68
Rot. Bonds7

About N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide

N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide (PubChem CID 24624066) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
PubChem CID24624066
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
SMILESCc1ccc(NC(=O)C(Nc2ccc(C(=O)NC3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-11-21(12-8-17)28-25(30)23(18-5-3-2-4-6-18)26-20-13-9-19(10-14-20)24(29)27-22-15-16-22/h2-14,22-23,26H,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyKQSIYAIZXTYCEA-UHFFFAOYSA-N
XLogP4.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
CID 41081211
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
CID 34277955
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
CID 46799402
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
(2R)-2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 2437719
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide (CID 24624066) is N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide is Cc1ccc(NC(=O)C(Nc2ccc(C(=O)NC3CC3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide?
The InChIKey is KQSIYAIZXTYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-7-11-21(12-8-17)28-25(30)23(18-5-3-2-4-6-18)26-20-13-9-19(10-14-20)24(29)27-22-15-16-22/h2-14,22-23,26H,15-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide?
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide is sourced from PubChem (CID 24624066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).