2-ethyl-N,N-bis(prop-2-enyl)hexanamide

C14H25NO — CID 4309154

IUPAC2-ethyl-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)C(CC)CCCC
InChIInChI=1S/C14H25NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h6-7,13H,2-3,5,8-12H2,1,4H3
InChIKeyQOBKEWCZTQRUBN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds9

About 2-ethyl-N,N-bis(prop-2-enyl)hexanamide

2-ethyl-N,N-bis(prop-2-enyl)hexanamide (PubChem CID 4309154) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(prop-2-enyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N,N-bis(prop-2-enyl)hexanamide
PubChem CID4309154
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-ethyl-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)C(CC)CCCC
InChIInChI=1S/C14H25NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h6-7,13H,2-3,5,8-12H2,1,4H3
InChIKeyQOBKEWCZTQRUBN-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-N,N-bis(prop-2-enyl)hexanamide 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 2-ethyl-N,N-bis(prop-2-enyl)hexanamide?
The IUPAC name of 2-ethyl-N,N-bis(prop-2-enyl)hexanamide (CID 4309154) is 2-ethyl-N,N-bis(prop-2-enyl)hexanamide.
What is the SMILES notation for 2-ethyl-N,N-bis(prop-2-enyl)hexanamide?
The canonical SMILES for 2-ethyl-N,N-bis(prop-2-enyl)hexanamide is C=CCN(CC=C)C(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N,N-bis(prop-2-enyl)hexanamide?
The InChIKey is QOBKEWCZTQRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h6-7,13H,2-3,5,8-12H2,1,4H3.
What are the key properties of 2-ethyl-N,N-bis(prop-2-enyl)hexanamide?
2-ethyl-N,N-bis(prop-2-enyl)hexanamide has a molecular weight of 223.36 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(prop-2-enyl)hexanamide is sourced from PubChem (CID 4309154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).