N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide

C13H23NO2 — CID 104927764

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CCCC[C@H]2O)CCCC1
InChIInChI=1S/C13H23NO2/c1-13(8-4-5-9-13)12(16)14-10-6-2-3-7-11(10)15/h10-11,15H,2-9H2,1H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNYVQTRVUNNPBRK-GHMZBOCLSA-N
MW225.33 g/mol
LogP1.99
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 104927764) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
PubChem CID104927764
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CCCC[C@H]2O)CCCC1
InChIInChI=1S/C13H23NO2/c1-13(8-4-5-9-13)12(16)14-10-6-2-3-7-11(10)15/h10-11,15H,2-9H2,1H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNYVQTRVUNNPBRK-GHMZBOCLSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclohexyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110931002
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
CID 113394747
N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 106365855
N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180446
N-(2-hydroxyazetidin-3-yl)-1-methylcyclohexane-1-carboxamide
CID 123284817
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439
1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 80592030
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64552758
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide (CID 104927764) is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)N[C@@H]2CCCC[C@H]2O)CCCC1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is NYVQTRVUNNPBRK-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(8-4-5-9-13)12(16)14-10-6-2-3-7-11(10)15/h10-11,15H,2-9H2,1H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104927764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).