N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C13H25NO2 — CID 163406245

IUPACN-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-12(15)13(16)8-10(4)6-7-11(13)9(2)3/h9-11,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyNFWSODWMYKXRST-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds3

About N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 163406245) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID163406245
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-12(15)13(16)8-10(4)6-7-11(13)9(2)3/h9-11,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyNFWSODWMYKXRST-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491842
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
1-hydroxy-5-methyl-N-[2-(4-methylphenyl)ethyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491819
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
(1R)-1-hydroxy-5-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 175491805
(1S,2S,5R)-N-[2-(2-fluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 164537854
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432845
N-[2-(2,3-difluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432806
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432804
1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
CID 175745100
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175745168
N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432840

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 163406245) is N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCNC(=O)C1(O)CC(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NFWSODWMYKXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-12(15)13(16)8-10(4)6-7-11(13)9(2)3/h9-11,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 163406245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).