2-cyano-N-(3,4-dimethoxyphenyl)acetamide

C11H12N2O3 — CID 3788216

IUPAC2-cyano-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC#N)cc1OC
InChIInChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyFQSFOQOBZIALFQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.56
Rot. Bonds4

About 2-cyano-N-(3,4-dimethoxyphenyl)acetamide

2-cyano-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 3788216) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID3788216
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-cyano-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC#N)cc1OC
InChIInChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyFQSFOQOBZIALFQ-UHFFFAOYSA-N
XLogP1.56
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)Acetamide
CID 5827
Diethofencarb
CID 91742
3,4-Dimethoxyaniline
CID 22770
Acetamide, N-(3-methoxyphenyl)-
CID 11494
3'-Ethoxyacetanilide
CID 11570
N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
CID 735851
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(4-methoxyphenyl)acrylamide
CID 82197
3-Ureidoanisole
CID 101483
N-(3-methoxyphenyl)pivalamide
CID 546358
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3,4-dimethoxyphenyl)acetamide (CID 3788216) is 2-cyano-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CC#N)cc1OC.
What is the InChIKey of 2-cyano-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is FQSFOQOBZIALFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-(3,4-dimethoxyphenyl)acetamide?
2-cyano-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3788216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).