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

C12H14N2O2 — CID 43591437

IUPAC3-cyano-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-2-16-7-6-14-12(15)11-5-3-4-10(8-11)9-13/h3-5,8H,2,6-7H2,1H3,(H,14,15)
InChIKeyZPPNWGJUCOWJDX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds5

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

3-cyano-N-(2-ethoxyethyl)benzamide (PubChem CID 43591437) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyano-N-(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-ethoxyethyl)benzamide
PubChem CID43591437
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-cyano-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-2-16-7-6-14-12(15)11-5-3-4-10(8-11)9-13/h3-5,8H,2,6-7H2,1H3,(H,14,15)
InChIKeyZPPNWGJUCOWJDX-UHFFFAOYSA-N
XLogP1.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
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-methoxyethyl)benzamide
CID 24698142
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]benzamide
CID 119106214
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-ethoxyethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-ethoxyethyl)benzamide (CID 43591437) is 3-cyano-N-(2-ethoxyethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-ethoxyethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-ethoxyethyl)benzamide is CCOCCNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-ethoxyethyl)benzamide?
The InChIKey is ZPPNWGJUCOWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-16-7-6-14-12(15)11-5-3-4-10(8-11)9-13/h3-5,8H,2,6-7H2,1H3,(H,14,15).
What are the key properties of 3-cyano-N-(2-ethoxyethyl)benzamide?
3-cyano-N-(2-ethoxyethyl)benzamide has a molecular weight of 218.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-ethoxyethyl)benzamide is sourced from PubChem (CID 43591437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).