7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C17H30N2O2 — CID 114945102

IUPAC7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCN(C(=O)C1(N)C2CCCOC2C1(C)C)C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(10-7-11-21-14)17(16,18)15(20)19(3)12-8-5-4-6-9-12/h12-14H,4-11,18H2,1-3H3
InChIKeyJRCYBZKHAZQIMK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds2

About 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945102) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945102
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCN(C(=O)C1(N)C2CCCOC2C1(C)C)C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(10-7-11-21-14)17(16,18)15(20)19(3)12-8-5-4-6-9-12/h12-14H,4-11,18H2,1-3H3
InChIKeyJRCYBZKHAZQIMK-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-N,8,8-trimethyl-N-(oxan-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945462
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945956
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707
methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
CID 114945591
7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103101969
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945432
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
CID 115293762

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945102) is 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CN(C(=O)C1(N)C2CCCOC2C1(C)C)C1CCCCC1.
What is the InChIKey of 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is JRCYBZKHAZQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)14-13(10-7-11-21-14)17(16,18)15(20)19(3)12-8-5-4-6-9-12/h12-14H,4-11,18H2,1-3H3.
What are the key properties of 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).