N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide

C13H23NO3 — CID 136547027

IUPACN-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(O)C1CCC1)C1(O)CCCCC1
InChIInChI=1S/C13H23NO3/c15-11(10-5-4-6-10)9-14-12(16)13(17)7-2-1-3-8-13/h10-11,15,17H,1-9H2,(H,14,16)
InChIKeyXURWXCFSFKHKGU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.96
Rot. Bonds4

About N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide

N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide (PubChem CID 136547027) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide
PubChem CID136547027
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(O)C1CCC1)C1(O)CCCCC1
InChIInChI=1S/C13H23NO3/c15-11(10-5-4-6-10)9-14-12(16)13(17)7-2-1-3-8-13/h10-11,15,17H,1-9H2,(H,14,16)
InChIKeyXURWXCFSFKHKGU-UHFFFAOYSA-N
XLogP0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 63298838
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237441
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid
CID 115729988

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide (CID 136547027) is N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide is O=C(NCC(O)C1CCC1)C1(O)CCCCC1.
What is the InChIKey of N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide?
The InChIKey is XURWXCFSFKHKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-11(10-5-4-6-10)9-14-12(16)13(17)7-2-1-3-8-13/h10-11,15,17H,1-9H2,(H,14,16).
What are the key properties of N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide?
N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 136547027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).