N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

C14H23NO3 — CID 3497406

IUPACN,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C14H23NO3/c1-6-15(7-2)10(16)14-9-8-13(5,11(17)18-14)12(14,3)4/h6-9H2,1-5H3
InChIKeyWYCHMHPXGUPIBI-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.98
Rot. Bonds3

About N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3497406) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3497406
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C14H23NO3/c1-6-15(7-2)10(16)14-9-8-13(5,11(17)18-14)12(14,3)4/h6-9H2,1-5H3
InChIKeyWYCHMHPXGUPIBI-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 3497406) is N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is CCN(CC)C(=O)C12CCC(C)(C(=O)O1)C2(C)C.
What is the InChIKey of N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WYCHMHPXGUPIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-15(7-2)10(16)14-9-8-13(5,11(17)18-14)12(14,3)4/h6-9H2,1-5H3.
What are the key properties of N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3497406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).