2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide

C15H25NO3 — CID 173101252

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide
SMILESCC1CCC(C(C)C)C(C2(C(N)=O)CCC(=O)O2)C1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-12(11)15(14(16)18)7-6-13(17)19-15/h9-12H,4-8H2,1-3H3,(H2,16,18)
InChIKeyIWQGHTFCBGRGTG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide

2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide (PubChem CID 173101252) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide
PubChem CID173101252
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide
SMILESCC1CCC(C(C)C)C(C2(C(N)=O)CCC(=O)O2)C1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-12(11)15(14(16)18)7-6-13(17)19-15/h9-12H,4-8H2,1-3H3,(H2,16,18)
InChIKeyIWQGHTFCBGRGTG-UHFFFAOYSA-N
XLogP2.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
CID 23154684
1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione
CID 19377274
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylic acid
CID 66902539
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-2-methyl-4,6-dioxocyclohexane-1-carboxylate
CID 24786679

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide (CID 173101252) is 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide is CC1CCC(C(C)C)C(C2(C(N)=O)CCC(=O)O2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide?
The InChIKey is IWQGHTFCBGRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-12(11)15(14(16)18)7-6-13(17)19-15/h9-12H,4-8H2,1-3H3,(H2,16,18).
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide?
2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 173101252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).