3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide

C13H16N2O — CID 90748205

IUPAC3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-15(2)13(16)9-8-11-4-6-12(10-14)7-5-11/h4-7H,3,8-9H2,1-2H3
InChIKeyYWMOGGBYUQNUNE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.97
Rot. Bonds4

About 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide

3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide (PubChem CID 90748205) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
PubChem CID90748205
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-15(2)13(16)9-8-11-4-6-12(10-14)7-5-11/h4-7H,3,8-9H2,1-2H3
InChIKeyYWMOGGBYUQNUNE-UHFFFAOYSA-N
XLogP1.97
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
4-[5-(4-cyanophenyl)-3-oxopentyl]benzonitrile;pentan-3-one
CID 174780528
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
2-[acetyl-[3-(4-cyanophenyl)propanoyl]amino]-3-ethoxy-3-oxopropanoic acid
CID 140990814
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide (CID 90748205) is 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide?
The InChIKey is YWMOGGBYUQNUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-15(2)13(16)9-8-11-4-6-12(10-14)7-5-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide?
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 90748205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).