N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide

C21H24N2O3 — CID 110297406

IUPACN-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(NC(C)=O)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(24)22-17-7-9-18(10-8-17)23-21(25)13-20(15-3-4-15)16-5-11-19(26-2)12-6-16/h5-12,15,20H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKKMGUWRUMUOFKB-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.18
Rot. Bonds7

About N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide

N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide (PubChem CID 110297406) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
PubChem CID110297406
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(NC(C)=O)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(24)22-17-7-9-18(10-8-17)23-21(25)13-20(15-3-4-15)16-5-11-19(26-2)12-6-16/h5-12,15,20H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKKMGUWRUMUOFKB-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide (CID 110297406) is N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)Nc2ccc(NC(C)=O)cc2)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide?
The InChIKey is KKMGUWRUMUOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(24)22-17-7-9-18(10-8-17)23-21(25)13-20(15-3-4-15)16-5-11-19(26-2)12-6-16/h5-12,15,20H,3-4,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide?
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110297406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).