N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide

C22H26N2O2 — CID 110423890

IUPACN-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-14-4-5-18(12-15(14)2)21(17-6-7-17)13-22(26)24-20-10-8-19(9-11-20)23-16(3)25/h4-5,8-12,17,21H,6-7,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyITMCRWDRZKCPPO-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.78
Rot. Bonds6

About N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide

N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide (PubChem CID 110423890) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
PubChem CID110423890
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-14-4-5-18(12-15(14)2)21(17-6-7-17)13-22(26)24-20-10-8-19(9-11-20)23-16(3)25/h4-5,8-12,17,21H,6-7,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyITMCRWDRZKCPPO-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)propanamide
CID 110408201
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide (CID 110423890) is N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide is CC(=O)Nc1ccc(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide?
The InChIKey is ITMCRWDRZKCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-4-5-18(12-15(14)2)21(17-6-7-17)13-22(26)24-20-10-8-19(9-11-20)23-16(3)25/h4-5,8-12,17,21H,6-7,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide?
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 110423890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).