4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide

C18H33NO — CID 114550438

IUPAC4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC2CCC(C)(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16-11-12-18(2,3)13-16/h14-16H,4-13H2,1-3H3,(H,19,20)
InChIKeyJBCVYCIWWJJPDL-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.68
Rot. Bonds5

About 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide

4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 114550438) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID114550438
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC2CCC(C)(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16-11-12-18(2,3)13-16/h14-16H,4-13H2,1-3H3,(H,19,20)
InChIKeyJBCVYCIWWJJPDL-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
CID 115878057
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484
N-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide (CID 114550438) is 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC2CCC(C)(C)C2)CC1.
What is the InChIKey of 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is JBCVYCIWWJJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16-11-12-18(2,3)13-16/h14-16H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 279.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114550438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).