4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide

C14H26N2O2 — CID 66248852

IUPAC4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyPMEXSTQTXQUKQL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide

4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide (PubChem CID 66248852) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide
PubChem CID66248852
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyPMEXSTQTXQUKQL-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide (CID 66248852) is 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide is CCC1CCCCC1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide?
The InChIKey is PMEXSTQTXQUKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).