6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H30N2O2 — CID 114945852

IUPAC6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1CCCCC1CNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H30N2O2/c1-11-6-4-5-7-12(11)10-19-15(20)17(18)13-8-9-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyQUMIBNXPCDOKBD-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.07
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945852) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945852
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1CCCCC1CNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H30N2O2/c1-11-6-4-5-7-12(11)10-19-15(20)17(18)13-8-9-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyQUMIBNXPCDOKBD-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945852) is 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1CCCCC1CNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is QUMIBNXPCDOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11-6-4-5-7-12(11)10-19-15(20)17(18)13-8-9-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-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 6-amino-7,7-dimethyl-N-[(2-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).