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

C13H16N2O2 — CID 24708113

IUPAC4-cyano-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-17-9-3-8-15-13(16)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyNPSUMSFXWXSUGQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.71
Rot. Bonds6

About 4-cyano-N-(3-ethoxypropyl)benzamide

4-cyano-N-(3-ethoxypropyl)benzamide (PubChem CID 24708113) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-cyano-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethoxypropyl)benzamide
PubChem CID24708113
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-cyano-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-17-9-3-8-15-13(16)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyNPSUMSFXWXSUGQ-UHFFFAOYSA-N
XLogP1.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-cyano-N-decylbenzamide
CID 14179073
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
3-(cyanomethyl)-N-(3-ethoxypropyl)benzamide
CID 82179019
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
11-[4-(4-cyanophenyl)phenoxy]undecyl N-(3-ethoxypropyl)carbamate
CID 143300366
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-cyano-N-(3-ethoxypropyl)benzamide (CID 24708113) is 4-cyano-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(3-ethoxypropyl)benzamide?
The InChIKey is NPSUMSFXWXSUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-17-9-3-8-15-13(16)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 4-cyano-N-(3-ethoxypropyl)benzamide?
4-cyano-N-(3-ethoxypropyl)benzamide has a molecular weight of 232.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 24708113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).