3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide

C14H16N2O2 — CID 112511360

IUPAC3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(C#N)c1cccc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-3-7-16-14(17)9-12(10-15)11-5-4-6-13(8-11)18-2/h3-6,8,12H,1,7,9H2,2H3,(H,16,17)
InChIKeyCXXQUMDMCZIKDU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.99
Rot. Bonds6

About 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide

3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide (PubChem CID 112511360) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
PubChem CID112511360
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(C#N)c1cccc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-3-7-16-14(17)9-12(10-15)11-5-4-6-13(8-11)18-2/h3-6,8,12H,1,7,9H2,2H3,(H,16,17)
InChIKeyCXXQUMDMCZIKDU-UHFFFAOYSA-N
XLogP1.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-methoxyphenyl)-4-oxobutanenitrile
CID 14107117
2-(3-ethoxyphenyl)-4-oxopentanenitrile
CID 175669256
4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
CID 112515887
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
CID 92676242
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282
5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid
CID 70551832
(2S)-2-(4-fluorophenyl)-4-(3-methoxyphenyl)-4-oxobutanenitrile
CID 1483901
(2S)-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 6928256
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide (CID 112511360) is 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide is C=CCNC(=O)CC(C#N)c1cccc(OC)c1.
What is the InChIKey of 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide?
The InChIKey is CXXQUMDMCZIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-7-16-14(17)9-12(10-15)11-5-4-6-13(8-11)18-2/h3-6,8,12H,1,7,9H2,2H3,(H,16,17).
What are the key properties of 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide?
3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide has a molecular weight of 244.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 112511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).