N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

C21H22N2O3 — CID 34279897

IUPACN-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-6-8-15(9-7-14)19(24)12-13-20(25)23-18-5-3-2-4-17(18)21(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyMIYXLCOKFYOBOD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.49
Rot. Bonds7

About N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 34279897) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID34279897
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-6-8-15(9-7-14)19(24)12-13-20(25)23-18-5-3-2-4-17(18)21(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyMIYXLCOKFYOBOD-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34757062
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (CID 34279897) is N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is MIYXLCOKFYOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-6-8-15(9-7-14)19(24)12-13-20(25)23-18-5-3-2-4-17(18)21(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 34279897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).