2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide

C15H27NO2 — CID 102421353

IUPAC2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@]1(CO)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(2)14(18)10-13-8-9-15(13,11-17)12-6-4-3-5-7-12/h12-13,17H,3-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyONNIWWNTYCXLQL-ZFWWWQNUSA-N
MW253.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide

2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide (PubChem CID 102421353) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
PubChem CID102421353
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@]1(CO)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(2)14(18)10-13-8-9-15(13,11-17)12-6-4-3-5-7-12/h12-13,17H,3-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyONNIWWNTYCXLQL-ZFWWWQNUSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68922909
[1-(hydroxymethyl)-2-bicyclo[5.2.0]nonanyl]methanol
CID 66908286
[2-cyclooctyl-2-(hydroxymethyl)cyclooctyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68920730
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184029
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
(4E)-4-[(3aS,7aR)-7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]-N,N-dimethylpentanamide
CID 101203695
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide (CID 102421353) is 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@@H]1CC[C@]1(CO)C1CCCCC1.
What is the InChIKey of 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide?
The InChIKey is ONNIWWNTYCXLQL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16(2)14(18)10-13-8-9-15(13,11-17)12-6-4-3-5-7-12/h12-13,17H,3-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide?
2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide has a molecular weight of 253.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide is sourced from PubChem (CID 102421353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).