N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide

C21H23NO2 — CID 110618424

IUPACN-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C21H23NO2/c1-14-8-9-18(15(2)23)12-20(14)22-21(24)13-19(17-10-11-17)16-6-4-3-5-7-16/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyNHRCXNANBZYTBD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.72
Rot. Bonds6

About N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide

N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide (PubChem CID 110618424) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide
PubChem CID110618424
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C21H23NO2/c1-14-8-9-18(15(2)23)12-20(14)22-21(24)13-19(17-10-11-17)16-6-4-3-5-7-16/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyNHRCXNANBZYTBD-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide (CID 110618424) is N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide is CC(=O)c1ccc(C)c(NC(=O)CC(c2ccccc2)C2CC2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide?
The InChIKey is NHRCXNANBZYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14-8-9-18(15(2)23)12-20(14)22-21(24)13-19(17-10-11-17)16-6-4-3-5-7-16/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide?
N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 110618424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).