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

C13H16N2O2 — CID 113241599

IUPAC3-cyano-N-(2-ethoxypropyl)benzamide
SMILESCCOC(C)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-17-10(2)9-15-13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,3,9H2,1-2H3,(H,15,16)
InChIKeySEMKQIVAUQYBNG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.71
Rot. Bonds5

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

3-cyano-N-(2-ethoxypropyl)benzamide (PubChem CID 113241599) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-cyano-N-(2-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-ethoxypropyl)benzamide
PubChem CID113241599
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-cyano-N-(2-ethoxypropyl)benzamide
SMILESCCOC(C)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-17-10(2)9-15-13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,3,9H2,1-2H3,(H,15,16)
InChIKeySEMKQIVAUQYBNG-UHFFFAOYSA-N
XLogP1.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722738
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-ethoxypropyl)benzamide?
The IUPAC name of 3-cyano-N-(2-ethoxypropyl)benzamide (CID 113241599) is 3-cyano-N-(2-ethoxypropyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-ethoxypropyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-ethoxypropyl)benzamide is CCOC(C)CNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-ethoxypropyl)benzamide?
The InChIKey is SEMKQIVAUQYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-17-10(2)9-15-13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 3-cyano-N-(2-ethoxypropyl)benzamide?
3-cyano-N-(2-ethoxypropyl)benzamide has a molecular weight of 232.28 g/mol, XLogP of 1.71, 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-ethoxypropyl)benzamide is sourced from PubChem (CID 113241599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).