N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide

C13H25NO2 — CID 97061065

IUPACN-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-9-16-13-7-5-4-6-12(13)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15)/t12-,13-/m1/s1
InChIKeyZIVSWQWCHSQXEC-CHWSQXEVSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide

N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide (PubChem CID 97061065) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide
PubChem CID97061065
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-9-16-13-7-5-4-6-12(13)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15)/t12-,13-/m1/s1
InChIKeyZIVSWQWCHSQXEC-CHWSQXEVSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-N-[(1R,2S)-2-(3-methylbutoxy)cyclohexyl]pyrazole-4-carboxamide
CID 97061084
6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
CID 84590891
(2S)-1-acetyl-N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]-2,3-dihydroindole-2-carboxamide
CID 97246820
(2S)-1-acetyl-N-[(1R,2S)-2-(3-methylbutoxy)cyclohexyl]-2,3-dihydroindole-2-carboxamide
CID 97246821
N-[(1S,2S)-2-(3-methylbutoxy)cyclohexyl]-3-(propanoylamino)benzamide
CID 97095254
(2-acetamidocyclohexyl) hydrogen sulfite
CID 90958975
4-[2-(3-hydroxybutoxy)cyclohexyl]oxybutan-2-one
CID 175052623
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
16-methylheptadecyl N-[2-(16-methylheptadecoxycarbonylamino)cyclohexyl]carbamate
CID 90125991
[2-(4-methylpentoxycarbonyloxy)cyclohexyl] 4-methylpentyl carbonate
CID 23066370
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide (CID 97061065) is N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide is CC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C.
What is the InChIKey of N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide?
The InChIKey is ZIVSWQWCHSQXEC-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-9-16-13-7-5-4-6-12(13)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide?
N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-methylbutoxy)cyclohexyl]acetamide is sourced from PubChem (CID 97061065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).