6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H30N2O2 — CID 114945084

IUPAC6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(10-11-21-14)17(16,18)15(20)19-12-8-6-4-3-5-7-9-12/h12-14H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyQRFCLLJBNABNRM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.36
Rot. Bonds2

About 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945084) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945084
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(10-11-21-14)17(16,18)15(20)19-12-8-6-4-3-5-7-9-12/h12-14H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyQRFCLLJBNABNRM-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
6-amino-7,7-dimethyl-N-(1-oxothian-4-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946664
6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945814
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890
6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946442
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945924
6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945852

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945084) is 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)NC1CCCCCCC1.
What is the InChIKey of 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is QRFCLLJBNABNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)14-13(10-11-21-14)17(16,18)15(20)19-12-8-6-4-3-5-7-9-12/h12-14H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).