4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide

C18H33NO2 — CID 64912183

IUPAC4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CCCCC2O)CC1
InChIInChI=1S/C18H33NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-13-16-7-4-5-8-17(16)20/h14-17,20H,2-13H2,1H3,(H,19,21)
InChIKeyGQWKXJUSDUUTMO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.65
Rot. Bonds6

About 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide

4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (PubChem CID 64912183) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
PubChem CID64912183
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CCCCC2O)CC1
InChIInChI=1S/C18H33NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-13-16-7-4-5-8-17(16)20/h14-17,20H,2-13H2,1H3,(H,19,21)
InChIKeyGQWKXJUSDUUTMO-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745192
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
CID 111471288
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (CID 64912183) is 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC2CCCCC2O)CC1.
What is the InChIKey of 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is GQWKXJUSDUUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-13-16-7-4-5-8-17(16)20/h14-17,20H,2-13H2,1H3,(H,19,21).
What are the key properties of 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64912183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).