2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide

C11H12N2O3 — CID 20985064

IUPAC2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC#N)cc1O
InChIInChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-9(10)14)7-13-11(15)4-5-12/h2-3,6,14H,4,7H2,1H3,(H,13,15)
InChIKeyKUBMHTNZAKHVGR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.93
Rot. Bonds4

About 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide

2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide (PubChem CID 20985064) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
PubChem CID20985064
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC#N)cc1O
InChIInChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-9(10)14)7-13-11(15)4-5-12/h2-3,6,14H,4,7H2,1H3,(H,13,15)
InChIKeyKUBMHTNZAKHVGR-UHFFFAOYSA-N
XLogP0.93
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide 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-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
N-[(3-chloro-4-methoxyphenyl)methyl]-3-cyanopropanamide
CID 94690844
N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-phenylprop-2-ynamide
CID 71914543

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide (CID 20985064) is 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CC#N)cc1O.
What is the InChIKey of 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide?
The InChIKey is KUBMHTNZAKHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-9(10)14)7-13-11(15)4-5-12/h2-3,6,14H,4,7H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide?
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).