2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide

C19H32N2O2 — CID 141218611

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide
SMILESCCN(CC)C(=O)CC(C(=O)N(CC)CC)C12C=CC(CC1)C2
InChIInChI=1S/C19H32N2O2/c1-5-20(6-2)17(22)13-16(18(23)21(7-3)8-4)19-11-9-15(14-19)10-12-19/h9,11,15-16H,5-8,10,12-14H2,1-4H3
InChIKeyDSQNCQNHHQBFLH-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.09
Rot. Bonds8

About 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide

2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide (PubChem CID 141218611) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide
PubChem CID141218611
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide
SMILESCCN(CC)C(=O)CC(C(=O)N(CC)CC)C12C=CC(CC1)C2
InChIInChI=1S/C19H32N2O2/c1-5-20(6-2)17(22)13-16(18(23)21(7-3)8-4)19-11-9-15(14-19)10-12-19/h9,11,15-16H,5-8,10,12-14H2,1-4H3
InChIKeyDSQNCQNHHQBFLH-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide (CID 141218611) is 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide is CCN(CC)C(=O)CC(C(=O)N(CC)CC)C12C=CC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide?
The InChIKey is DSQNCQNHHQBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-20(6-2)17(22)13-16(18(23)21(7-3)8-4)19-11-9-15(14-19)10-12-19/h9,11,15-16H,5-8,10,12-14H2,1-4H3.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide?
2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide has a molecular weight of 320.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide is sourced from PubChem (CID 141218611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).