N-(2,3-dimethylcyclohexyl)tridecanamide

C21H41NO — CID 57307251

IUPACN-(2,3-dimethylcyclohexyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-17-21(23)22-20-16-14-15-18(2)19(20)3/h18-20H,4-17H2,1-3H3,(H,22,23)
InChIKeyANKBUGZUYNKYAW-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.24
Rot. Bonds12

About N-(2,3-dimethylcyclohexyl)tridecanamide

N-(2,3-dimethylcyclohexyl)tridecanamide (PubChem CID 57307251) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)tridecanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)tridecanamide
PubChem CID57307251
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC NameN-(2,3-dimethylcyclohexyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-17-21(23)22-20-16-14-15-18(2)19(20)3/h18-20H,4-17H2,1-3H3,(H,22,23)
InChIKeyANKBUGZUYNKYAW-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.24
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-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-cyclobutylhexadecanamide
CID 67041463
N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
N-cyclobutylicosanamide
CID 10384249

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)tridecanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)tridecanamide (CID 57307251) is N-(2,3-dimethylcyclohexyl)tridecanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)tridecanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)tridecanamide is CCCCCCCCCCCCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)tridecanamide?
The InChIKey is ANKBUGZUYNKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-17-21(23)22-20-16-14-15-18(2)19(20)3/h18-20H,4-17H2,1-3H3,(H,22,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)tridecanamide?
N-(2,3-dimethylcyclohexyl)tridecanamide has a molecular weight of 323.57 g/mol, XLogP of 6.24, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)tridecanamide is sourced from PubChem (CID 57307251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).