4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide

C17H31NO2 — CID 103280018

IUPAC4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-4-13-5-8-15(9-6-13)17(20)18-12-14-7-10-16(19)11-14/h13-16,19H,2-12H2,1H3,(H,18,20)
InChIKeyUAHHIZUMDPDMFY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.26
Rot. Bonds6

About 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide

4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide (PubChem CID 103280018) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
PubChem CID103280018
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-4-13-5-8-15(9-6-13)17(20)18-12-14-7-10-16(19)11-14/h13-16,19H,2-12H2,1H3,(H,18,20)
InChIKeyUAHHIZUMDPDMFY-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745192
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide (CID 103280018) is 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC2CCC(O)C2)CC1.
What is the InChIKey of 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UAHHIZUMDPDMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-4-13-5-8-15(9-6-13)17(20)18-12-14-7-10-16(19)11-14/h13-16,19H,2-12H2,1H3,(H,18,20).
What are the key properties of 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide?
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103280018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).