ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide

C11H23NO2 — CID 164564557

IUPACethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCC.CCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-2-10-9(12)7-3-5-8(11)6-4-7;1-2/h7-8,11H,2-6H2,1H3,(H,10,12);1-2H3
InChIKeyUYHNWFGVUDVFBU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds2

About ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide

ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide (PubChem CID 164564557) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
PubChem CID164564557
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCC.CCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-2-10-9(12)7-3-5-8(11)6-4-7;1-2/h7-8,11H,2-6H2,1H3,(H,10,12);1-2H3
InChIKeyUYHNWFGVUDVFBU-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-difluorospiro[2.5]octane-6-carboxamide
CID 156872223
N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 139316795
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
CID 161174524
N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
CID 136538686
N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
CID 98268645
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
(3S)-5-(ethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 70985200
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide (CID 164564557) is ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide is CC.CCNC(=O)C1CCC(O)CC1.
What is the InChIKey of ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is UYHNWFGVUDVFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-2-10-9(12)7-3-5-8(11)6-4-7;1-2/h7-8,11H,2-6H2,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide?
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 164564557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).