N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C15H25NO2 — CID 3256727

IUPACN,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO2/c1-6-16(7-2)12(18)15-9-8-14(5,11(17)10-15)13(15,3)4/h6-10H2,1-5H3
InChIKeyRGHBFVGMLYTJQD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds3

About N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3256727) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3256727
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO2/c1-6-16(7-2)12(18)15-9-8-14(5,11(17)10-15)13(15,3)4/h6-10H2,1-5H3
InChIKeyRGHBFVGMLYTJQD-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 3256727) is N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CCN(CC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is RGHBFVGMLYTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-16(7-2)12(18)15-9-8-14(5,11(17)10-15)13(15,3)4/h6-10H2,1-5H3.
What are the key properties of N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3256727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).