N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C15H25NO2 — CID 3151887

IUPACN,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCCN(CC)C(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C15H25NO2/c1-5-16(6-2)12(17)15-9-11-7-8-14(15,4)13(11,3)10-18-15/h11H,5-10H2,1-4H3
InChIKeyVPXALLSPJYGRMU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.45
Rot. Bonds3

About N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 3151887) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID3151887
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCCN(CC)C(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C15H25NO2/c1-5-16(6-2)12(17)15-9-11-7-8-14(15,4)13(11,3)10-18-15/h11H,5-10H2,1-4H3
InChIKeyVPXALLSPJYGRMU-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 3151887) is N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is CCN(CC)C(=O)C12CC3CCC1(C)C3(C)CO2.
What is the InChIKey of N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is VPXALLSPJYGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16(6-2)12(17)15-9-11-7-8-14(15,4)13(11,3)10-18-15/h11H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 3151887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).