3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide

C20H22N2O2 — CID 134054649

IUPAC3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-15(18-6-4-5-7-19(18)24-3)22(2)20(23)13-12-16-8-10-17(14-21)11-9-16/h4-11,15H,12-13H2,1-3H3
InChIKeyHLDHCVYMCYSFDJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.72
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide

3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 134054649) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID134054649
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-15(18-6-4-5-7-19(18)24-3)22(2)20(23)13-12-16-8-10-17(14-21)11-9-16/h4-11,15H,12-13H2,1-3H3
InChIKeyHLDHCVYMCYSFDJ-UHFFFAOYSA-N
XLogP3.72
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl) 3-(4-cyanophenyl)propanoate
CID 41484194
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054534
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (CID 134054649) is 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccccc1C(C)N(C)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is HLDHCVYMCYSFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(18-6-4-5-7-19(18)24-3)22(2)20(23)13-12-16-8-10-17(14-21)11-9-16/h4-11,15H,12-13H2,1-3H3.
What are the key properties of 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 134054649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).