6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H28N2O2 — CID 114946070

IUPAC6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C17H28N2O2/c1-16(2)14-13(5-6-21-14)17(16,18)15(20)19-9-12-8-10-3-4-11(12)7-10/h10-14H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyCNJSFRBZNIXBFU-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.68
Rot. Bonds3

About 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946070) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946070
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C17H28N2O2/c1-16(2)14-13(5-6-21-14)17(16,18)15(20)19-9-12-8-10-3-4-11(12)7-10/h10-14H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyCNJSFRBZNIXBFU-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946070) is 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is CNJSFRBZNIXBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)14-13(5-6-21-14)17(16,18)15(20)19-9-12-8-10-3-4-11(12)7-10/h10-14H,3-9,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).