2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide

C13H22N2O2 — CID 80714832

IUPAC2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c14-10-4-2-1-3-9(10)13(16)15-11-7-8-5-6-12(11)17-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyRQAYEAYIJIFAKM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide

2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80714832) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80714832
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c14-10-4-2-1-3-9(10)13(16)15-11-7-8-5-6-12(11)17-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyRQAYEAYIJIFAKM-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80714832) is 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RQAYEAYIJIFAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-10-4-2-1-3-9(10)13(16)15-11-7-8-5-6-12(11)17-8/h8-12H,1-7,14H2,(H,15,16).
What are the key properties of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80714832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).