N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane

C16H31NO2 — CID 171632983

IUPACN-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
SMILESCC.CN(C(=O)C1CCCO1)C1CCC(C)(C)CC1
InChIInChI=1S/C14H25NO2.C2H6/c1-14(2)8-6-11(7-9-14)15(3)13(16)12-5-4-10-17-12;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyFEDGRSVRYQAOPH-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.62
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane

N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane (PubChem CID 171632983) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
PubChem CID171632983
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
SMILESCC.CN(C(=O)C1CCCO1)C1CCC(C)(C)CC1
InChIInChI=1S/C14H25NO2.C2H6/c1-14(2)8-6-11(7-9-14)15(3)13(16)12-5-4-10-17-12;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyFEDGRSVRYQAOPH-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane (CID 171632983) is N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane is CC.CN(C(=O)C1CCCO1)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane?
The InChIKey is FEDGRSVRYQAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.C2H6/c1-14(2)8-6-11(7-9-14)15(3)13(16)12-5-4-10-17-12;1-2/h11-12H,4-10H2,1-3H3;1-2H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane?
N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane has a molecular weight of 269.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane is sourced from PubChem (CID 171632983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).