3-cyano-N-(2-methoxyethyl)benzamide

C11H12N2O2 — CID 24698142

IUPAC3-cyano-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-15-6-5-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyHXYRWGOLDCSYEK-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.93
Rot. Bonds4

About 3-cyano-N-(2-methoxyethyl)benzamide

3-cyano-N-(2-methoxyethyl)benzamide (PubChem CID 24698142) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxyethyl)benzamide
PubChem CID24698142
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-cyano-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-15-6-5-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyHXYRWGOLDCSYEK-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
CID 110787410
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-methoxyethyl)benzamide (CID 24698142) is 3-cyano-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methoxyethyl)benzamide?
The InChIKey is HXYRWGOLDCSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-6-5-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-cyano-N-(2-methoxyethyl)benzamide?
3-cyano-N-(2-methoxyethyl)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 24698142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).