N-[cyano-(2-methoxyphenyl)methyl]propanamide

C12H14N2O2 — CID 56687193

IUPACN-[cyano-(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(C#N)c1ccccc1OC
InChIInChI=1S/C12H14N2O2/c1-3-12(15)14-10(8-13)9-6-4-5-7-11(9)16-2/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeySRDMYPFUBZEVBJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.79
Rot. Bonds4

About N-[cyano-(2-methoxyphenyl)methyl]propanamide

N-[cyano-(2-methoxyphenyl)methyl]propanamide (PubChem CID 56687193) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[cyano-(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[cyano-(2-methoxyphenyl)methyl]propanamide
PubChem CID56687193
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[cyano-(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(C#N)c1ccccc1OC
InChIInChI=1S/C12H14N2O2/c1-3-12(15)14-10(8-13)9-6-4-5-7-11(9)16-2/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeySRDMYPFUBZEVBJ-UHFFFAOYSA-N
XLogP1.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano-(2-methoxyphenyl)methyl]propanamide 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

N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
CID 93260273
N-[cyano-(2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 112511056
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 99793440
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
3-chloro-N-[cyano-(2-methoxyphenyl)methyl]-2-nitrobenzamide
CID 75514742
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]propanamide (CID 56687193) is N-[cyano-(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[cyano-(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[cyano-(2-methoxyphenyl)methyl]propanamide is CCC(=O)NC(C#N)c1ccccc1OC.
What is the InChIKey of N-[cyano-(2-methoxyphenyl)methyl]propanamide?
The InChIKey is SRDMYPFUBZEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-12(15)14-10(8-13)9-6-4-5-7-11(9)16-2/h4-7,10H,3H2,1-2H3,(H,14,15).
What are the key properties of N-[cyano-(2-methoxyphenyl)methyl]propanamide?
N-[cyano-(2-methoxyphenyl)methyl]propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 56687193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).