3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

C20H22N2O — CID 31947728

IUPAC3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-16-4-10-19(11-5-16)15-22(2)20(23)13-12-17-6-8-18(14-21)9-7-17/h4-11H,3,12-13,15H2,1-2H3
InChIKeyKUFATLJUNVBBDL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.71
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (PubChem CID 31947728) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
PubChem CID31947728
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-16-4-10-19(11-5-16)15-22(2)20(23)13-12-17-6-8-18(14-21)9-7-17/h4-11H,3,12-13,15H2,1-2H3
InChIKeyKUFATLJUNVBBDL-UHFFFAOYSA-N
XLogP3.71
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (CID 31947728) is 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is CCc1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The InChIKey is KUFATLJUNVBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-16-4-10-19(11-5-16)15-22(2)20(23)13-12-17-6-8-18(14-21)9-7-17/h4-11H,3,12-13,15H2,1-2H3.
What are the key properties of 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 31947728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).