7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

C17H30N2O2 — CID 107413186

IUPAC7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1CCC(CNC(=O)C2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11-6-7-12(9-11)10-19-15(20)17(18)13-5-4-8-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyQAITVWXKRGPNGB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.07
Rot. Bonds3

About 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 107413186) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID107413186
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1CCC(CNC(=O)C2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11-6-7-12(9-11)10-19-15(20)17(18)13-5-4-8-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyQAITVWXKRGPNGB-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
7-amino-N-(2-cyclopropylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946645
6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945852
7-amino-8,8-dimethyl-N-(2,3,3-trimethylbutyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946542
7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103307455
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-(2-methylsulfinylpropyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946670
7-amino-N-(2-ethyl-4-hydroxybutyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946388

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 107413186) is 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC1CCC(CNC(=O)C2(N)C3CCCOC3C2(C)C)C1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is QAITVWXKRGPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11-6-7-12(9-11)10-19-15(20)17(18)13-5-4-8-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20).
What are the key properties of 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 107413186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).