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

C11H12N2O2 — CID 55134556

IUPAC2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)8-13-11(14)5-6-12/h2-4,7H,5,8H2,1H3,(H,13,14)
InChIKeyYRUROVCSGZJLIT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.23
Rot. Bonds4

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

2-cyano-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 55134556) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID55134556
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)8-13-11(14)5-6-12/h2-4,7H,5,8H2,1H3,(H,13,14)
InChIKeyYRUROVCSGZJLIT-UHFFFAOYSA-N
XLogP1.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20984569
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-cyano-N-[[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20993463
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide (CID 55134556) is 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is YRUROVCSGZJLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)8-13-11(14)5-6-12/h2-4,7H,5,8H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide?
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55134556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).