3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide

C21H26N2O2 — CID 110297407

IUPAC3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-23(2)18-10-8-17(9-11-18)22-21(24)14-20(15-4-5-15)16-6-12-19(25-3)13-7-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXRGHZULCSKRTCD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.28
Rot. Bonds7

About 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide

3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110297407) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110297407
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-23(2)18-10-8-17(9-11-18)22-21(24)14-20(15-4-5-15)16-6-12-19(25-3)13-7-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXRGHZULCSKRTCD-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide (CID 110297407) is 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is XRGHZULCSKRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)18-10-8-17(9-11-18)22-21(24)14-20(15-4-5-15)16-6-12-19(25-3)13-7-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide?
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110297407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).