N-ethenyl-N,2-diethylhexanamide

C12H23NO — CID 87457949

IUPACN-ethenyl-N,2-diethylhexanamide
SMILESC=CN(CC)C(=O)C(CC)CCCC
InChIInChI=1S/C12H23NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h7,11H,3,5-6,8-10H2,1-2,4H3
InChIKeyTVVWKZKAASRXDY-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.19
Rot. Bonds7

About N-ethenyl-N,2-diethylhexanamide

N-ethenyl-N,2-diethylhexanamide (PubChem CID 87457949) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethenyl-N,2-diethylhexanamide.

Molecular Properties

Compound NameN-ethenyl-N,2-diethylhexanamide
PubChem CID87457949
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethenyl-N,2-diethylhexanamide
SMILESC=CN(CC)C(=O)C(CC)CCCC
InChIInChI=1S/C12H23NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h7,11H,3,5-6,8-10H2,1-2,4H3
InChIKeyTVVWKZKAASRXDY-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethenyl-N,2-diethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N,2-diethylhexanamide?
The IUPAC name of N-ethenyl-N,2-diethylhexanamide (CID 87457949) is N-ethenyl-N,2-diethylhexanamide.
What is the SMILES notation for N-ethenyl-N,2-diethylhexanamide?
The canonical SMILES for N-ethenyl-N,2-diethylhexanamide is C=CN(CC)C(=O)C(CC)CCCC.
What is the InChIKey of N-ethenyl-N,2-diethylhexanamide?
The InChIKey is TVVWKZKAASRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h7,11H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of N-ethenyl-N,2-diethylhexanamide?
N-ethenyl-N,2-diethylhexanamide has a molecular weight of 197.32 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N,2-diethylhexanamide is sourced from PubChem (CID 87457949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).