N-hexadecylcyclopentanecarboxamide

C22H43NO — CID 46230476

IUPACN-hexadecylcyclopentanecarboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1CCCC1
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-22(24)21-18-15-16-19-21/h21H,2-20H2,1H3,(H,23,24)
InChIKeyFMOJUDDJWQLHFW-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.77
Rot. Bonds16

About N-hexadecylcyclopentanecarboxamide

N-hexadecylcyclopentanecarboxamide (PubChem CID 46230476) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is N-hexadecylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-hexadecylcyclopentanecarboxamide
PubChem CID46230476
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC NameN-hexadecylcyclopentanecarboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1CCCC1
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-22(24)21-18-15-16-19-21/h21H,2-20H2,1H3,(H,23,24)
InChIKeyFMOJUDDJWQLHFW-UHFFFAOYSA-N
XLogP6.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)dodecanamide
CID 345934
Dodecanamide, N-hexyl-
CID 3505480
Isostearamidopropyl Dimethylamine
CID 105621
N-(13-Methyltetradecyl)acetamide
CID 47346
Dodecanamide, N-butyl-
CID 94896
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-isobutyloctanamide
CID 230173
N-isobutyl-decanamide
CID 3613503
N-(2-Methylpropyl)hexacosanamide
CID 14162529
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]propyl}propanamide
CID 2931892
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]-2,2-dimethylpropyl}propanamide
CID 3940466
Hexadecanoic Acid Propylamide
CID 10379895

Frequently Asked Questions

What is the IUPAC name of N-hexadecylcyclopentanecarboxamide?
The IUPAC name of N-hexadecylcyclopentanecarboxamide (CID 46230476) is N-hexadecylcyclopentanecarboxamide.
What is the SMILES notation for N-hexadecylcyclopentanecarboxamide?
The canonical SMILES for N-hexadecylcyclopentanecarboxamide is CCCCCCCCCCCCCCCCNC(=O)C1CCCC1.
What is the InChIKey of N-hexadecylcyclopentanecarboxamide?
The InChIKey is FMOJUDDJWQLHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-22(24)21-18-15-16-19-21/h21H,2-20H2,1H3,(H,23,24).
What are the key properties of N-hexadecylcyclopentanecarboxamide?
N-hexadecylcyclopentanecarboxamide has a molecular weight of 337.59 g/mol, XLogP of 6.77, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylcyclopentanecarboxamide is sourced from PubChem (CID 46230476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).