N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

C22H24N2O3 — CID 55963383

IUPACN-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C22H24N2O3/c1-14-3-6-16(7-4-14)20(25)11-12-21(26)24-19-13-17(8-5-15(19)2)22(27)23-18-9-10-18/h3-8,13,18H,9-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIYGFMJKOBAKTON-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 55963383) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID55963383
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C22H24N2O3/c1-14-3-6-16(7-4-14)20(25)11-12-21(26)24-19-13-17(8-5-15(19)2)22(27)23-18-9-10-18/h3-8,13,18H,9-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIYGFMJKOBAKTON-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 55786201
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
3-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-N-cyclopropyl-4-methylbenzamide
CID 55786390
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (CID 55963383) is N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is IYGFMJKOBAKTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-3-6-16(7-4-14)20(25)11-12-21(26)24-19-13-17(8-5-15(19)2)22(27)23-18-9-10-18/h3-8,13,18H,9-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 55963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).