6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H28N2O4 — CID 106254794

IUPAC6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2)11-10(5-7-21-11)15(13,16)12(18)17-9-14(3,19)6-8-20-4/h10-11,19H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyIKUFSRCRQWMYMF-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.03
Rot. Bonds6

About 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 106254794) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID106254794
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2)11-10(5-7-21-11)15(13,16)12(18)17-9-14(3,19)6-8-20-4/h10-11,19H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyIKUFSRCRQWMYMF-UHFFFAOYSA-N
XLogP0.03
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 106254794) is 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is COCCC(C)(O)CNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is IKUFSRCRQWMYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-13(2)11-10(5-7-21-11)15(13,16)12(18)17-9-14(3,19)6-8-20-4/h10-11,19H,5-9,16H2,1-4H3,(H,17,18).
What are the key properties of 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 106254794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).