4-cyano-N-decylbenzamide

C18H26N2O — CID 14179073

IUPAC4-cyano-N-decylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-9-14-20-18(21)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3,(H,20,21)
InChIKeyFTNQLBBIKRUMQE-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.43
Rot. Bonds10

About 4-cyano-N-decylbenzamide

4-cyano-N-decylbenzamide (PubChem CID 14179073) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-cyano-N-decylbenzamide.

Molecular Properties

Compound Name4-cyano-N-decylbenzamide
PubChem CID14179073
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-cyano-N-decylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-9-14-20-18(21)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3,(H,20,21)
InChIKeyFTNQLBBIKRUMQE-UHFFFAOYSA-N
XLogP4.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-methylhexyl)benzamide
CID 79003058
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-(cyanomethyl)-N-pentylbenzamide
CID 82178782
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-sulfanylbenzamide
CID 107032455
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-hexadecylbenzamide
CID 54791037
N-decyl-4-ethoxybenzamide
CID 4123784

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-decylbenzamide?
The IUPAC name of 4-cyano-N-decylbenzamide (CID 14179073) is 4-cyano-N-decylbenzamide.
What is the SMILES notation for 4-cyano-N-decylbenzamide?
The canonical SMILES for 4-cyano-N-decylbenzamide is CCCCCCCCCCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-decylbenzamide?
The InChIKey is FTNQLBBIKRUMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-9-14-20-18(21)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3,(H,20,21).
What are the key properties of 4-cyano-N-decylbenzamide?
4-cyano-N-decylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-decylbenzamide is sourced from PubChem (CID 14179073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).