N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide

C22H26N2O2 — CID 24625904

IUPACN-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(NC(=O)CC(C)NC(=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-20(25)14-16(2)23-22(26)19-6-4-3-5-7-19/h3-11,16,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJOQQXJIJBNHLSU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 24625904) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID24625904
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(NC(=O)CC(C)NC(=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-20(25)14-16(2)23-22(26)19-6-4-3-5-7-19/h3-11,16,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJOQQXJIJBNHLSU-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
ethyl (2R,3S)-2-[[(3R)-3-benzamidobutanoyl]amino]-3-methylpentanoate
CID 95782351

Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide (CID 24625904) is N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide is Cc1ccc(C(NC(=O)CC(C)NC(=O)c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is JOQQXJIJBNHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-20(25)14-16(2)23-22(26)19-6-4-3-5-7-19/h3-11,16,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24625904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).