5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide

C16H27NO3 — CID 122582304

IUPAC5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NC1CCOC1=O
InChIInChI=1S/C16H27NO3/c1-10(2)11-5-7-16(3,4)9-12(11)14(18)17-13-6-8-20-15(13)19/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyQVUSDNXJKCEFHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds3

About 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide

5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 122582304) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID122582304
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NC1CCOC1=O
InChIInChI=1S/C16H27NO3/c1-10(2)11-5-7-16(3,4)9-12(11)14(18)17-13-6-8-20-15(13)19/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyQVUSDNXJKCEFHX-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide (CID 122582304) is 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C)(C)CC1C(=O)NC1CCOC1=O.
What is the InChIKey of 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is QVUSDNXJKCEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10(2)11-5-7-16(3,4)9-12(11)14(18)17-13-6-8-20-15(13)19/h10-13H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide?
5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122582304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).