6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H26N2O3 — CID 114946905

IUPAC6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-9(10-4-6-19-8-10)17-13(18)15(16)11-5-7-20-12(11)14(15,2)3/h9-12H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyXNLFWLVDRAVTCY-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.67
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946905) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946905
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-9(10-4-6-19-8-10)17-13(18)15(16)11-5-7-20-12(11)14(15,2)3/h9-12H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyXNLFWLVDRAVTCY-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945758
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 104985262
(2S)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107824762
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890
6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945373
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
7-amino-N-but-3-yn-2-yl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946989
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946905) is 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(NC(=O)C1(N)C2CCOC2C1(C)C)C1CCOC1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is XNLFWLVDRAVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(10-4-6-19-8-10)17-13(18)15(16)11-5-7-20-12(11)14(15,2)3/h9-12H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).