1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide

C15H27NO2 — CID 113384226

IUPAC1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(CO)CC2)CCCC1
InChIInChI=1S/C15H27NO2/c1-2-15(9-3-4-10-15)14(18)16-13-7-5-12(11-17)6-8-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyJWUIPQXQLGAEFJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.62
Rot. Bonds4

About 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide

1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide (PubChem CID 113384226) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
PubChem CID113384226
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(CO)CC2)CCCC1
InChIInChI=1S/C15H27NO2/c1-2-15(9-3-4-10-15)14(18)16-13-7-5-12(11-17)6-8-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyJWUIPQXQLGAEFJ-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
CID 114309108
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
2-[4-[(1-ethylcyclopropanecarbonyl)amino]cyclohexyl]acetic acid
CID 121439175
N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
CID 130553810
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
1-ethyl-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120601589
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid
CID 142274153
1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 115183966
3-ethyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 63135196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide (CID 113384226) is 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide is CCC1(C(=O)NC2CCC(CO)CC2)CCCC1.
What is the InChIKey of 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide?
The InChIKey is JWUIPQXQLGAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-15(9-3-4-10-15)14(18)16-13-7-5-12(11-17)6-8-13/h12-13,17H,2-11H2,1H3,(H,16,18).
What are the key properties of 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide?
1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113384226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).