4-amino-N-cycloheptyloxolane-3-carboxamide

C12H22N2O2 — CID 66240800

IUPAC4-amino-N-cycloheptyloxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c13-11-8-16-7-10(11)12(15)14-9-5-3-1-2-4-6-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyIOUDDDYFOWYSOX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-N-cycloheptyloxolane-3-carboxamide

4-amino-N-cycloheptyloxolane-3-carboxamide (PubChem CID 66240800) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-cycloheptyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cycloheptyloxolane-3-carboxamide
PubChem CID66240800
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-cycloheptyloxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c13-11-8-16-7-10(11)12(15)14-9-5-3-1-2-4-6-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyIOUDDDYFOWYSOX-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cycloheptyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-cycloheptyloxolane-3-carboxamide (CID 66240800) is 4-amino-N-cycloheptyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-cycloheptyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-cycloheptyloxolane-3-carboxamide is NC1COCC1C(=O)NC1CCCCCC1.
What is the InChIKey of 4-amino-N-cycloheptyloxolane-3-carboxamide?
The InChIKey is IOUDDDYFOWYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11-8-16-7-10(11)12(15)14-9-5-3-1-2-4-6-9/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 4-amino-N-cycloheptyloxolane-3-carboxamide?
4-amino-N-cycloheptyloxolane-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cycloheptyloxolane-3-carboxamide is sourced from PubChem (CID 66240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).