4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide

C11H21NO3 — CID 136582161

IUPAC4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide
SMILESC[C@H](O)CN(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-8(13)7-12(2)11(15)9-3-5-10(14)6-4-9/h8-10,13-14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyJTMLBXXLHKUJKE-IDKOKCKLSA-N
MW215.29 g/mol
LogP0.38
Rot. Bonds3

About 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide

4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 136582161) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide
PubChem CID136582161
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide
SMILESC[C@H](O)CN(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-8(13)7-12(2)11(15)9-3-5-10(14)6-4-9/h8-10,13-14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyJTMLBXXLHKUJKE-IDKOKCKLSA-N
XLogP0.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 115150770
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide
CID 138607900
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79543923
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide (CID 136582161) is 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide is C[C@H](O)CN(C)C(=O)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is JTMLBXXLHKUJKE-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)7-12(2)11(15)9-3-5-10(14)6-4-9/h8-10,13-14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide?
4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 136582161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).