N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C14H23NO2 — CID 3045079

IUPACN,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H23NO2/c1-5-15(6-2)12(17)14-8-7-10(9-11(14)16)13(14,3)4/h10H,5-9H2,1-4H3
InChIKeyUXQKXOSBUOCFTG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds3

About N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3045079) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3045079
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CC)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H23NO2/c1-5-15(6-2)12(17)14-8-7-10(9-11(14)16)13(14,3)4/h10H,5-9H2,1-4H3
InChIKeyUXQKXOSBUOCFTG-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 3045079) is N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CCN(CC)C(=O)C12CCC(CC1=O)C2(C)C.
What is the InChIKey of N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UXQKXOSBUOCFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15(6-2)12(17)14-8-7-10(9-11(14)16)13(14,3)4/h10H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3045079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).