5-cyano-2-(cyclopentylamino)-N-hexylbenzamide

C19H27N3O — CID 70067191

IUPAC5-cyano-2-(cyclopentylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(C#N)ccc1NC1CCCC1
InChIInChI=1S/C19H27N3O/c1-2-3-4-7-12-21-19(23)17-13-15(14-20)10-11-18(17)22-16-8-5-6-9-16/h10-11,13,16,22H,2-9,12H2,1H3,(H,21,23)
InChIKeyQUWFIQGMFVNKJV-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.22
Rot. Bonds8

About 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide

5-cyano-2-(cyclopentylamino)-N-hexylbenzamide (PubChem CID 70067191) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide.

Molecular Properties

Compound Name5-cyano-2-(cyclopentylamino)-N-hexylbenzamide
PubChem CID70067191
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-cyano-2-(cyclopentylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(C#N)ccc1NC1CCCC1
InChIInChI=1S/C19H27N3O/c1-2-3-4-7-12-21-19(23)17-13-15(14-20)10-11-18(17)22-16-8-5-6-9-16/h10-11,13,16,22H,2-9,12H2,1H3,(H,21,23)
InChIKeyQUWFIQGMFVNKJV-UHFFFAOYSA-N
XLogP4.22
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
4-cyano-N-decylbenzamide
CID 14179073
5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(piperidin-4-ylamino)benzamide;hydrochloride
CID 22467527
[4-cyano-2-(octadecylcarbamoyl)phenyl]methyl N-[5-(dimethylamino)pentyl]carbamate
CID 23299345
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
N-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 70078289
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide?
The IUPAC name of 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide (CID 70067191) is 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide.
What is the SMILES notation for 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide?
The canonical SMILES for 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide is CCCCCCNC(=O)c1cc(C#N)ccc1NC1CCCC1.
What is the InChIKey of 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide?
The InChIKey is QUWFIQGMFVNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-3-4-7-12-21-19(23)17-13-15(14-20)10-11-18(17)22-16-8-5-6-9-16/h10-11,13,16,22H,2-9,12H2,1H3,(H,21,23).
What are the key properties of 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide?
5-cyano-2-(cyclopentylamino)-N-hexylbenzamide has a molecular weight of 313.45 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(cyclopentylamino)-N-hexylbenzamide is sourced from PubChem (CID 70067191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).