4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide

C15H28ClNO — CID 83180503

IUPAC4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CCCl)CC1
InChIInChI=1S/C15H28ClNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-12(2)10-11-16/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyRALITOOJROACMP-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds7

About 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide

4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 83180503) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
PubChem CID83180503
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CCCl)CC1
InChIInChI=1S/C15H28ClNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-12(2)10-11-16/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyRALITOOJROACMP-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
4-butylcyclohexane-1-carbohydrazide
CID 2063620
3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
CID 22422561
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide (CID 83180503) is 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC(C)CCCl)CC1.
What is the InChIKey of 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RALITOOJROACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-12(2)10-11-16/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide?
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 83180503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).