N-ethyl-3-ethylidene-5-methylhex-4-enamide

C11H19NO — CID 123412638

IUPACN-ethyl-3-ethylidene-5-methylhex-4-enamide
SMILESCC=C(C=C(C)C)CC(=O)NCC
InChIInChI=1S/C11H19NO/c1-5-10(7-9(3)4)8-11(13)12-6-2/h5,7H,6,8H2,1-4H3,(H,12,13)
InChIKeyNNEGYGNMQIVHAS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-3-ethylidene-5-methylhex-4-enamide

N-ethyl-3-ethylidene-5-methylhex-4-enamide (PubChem CID 123412638) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-3-ethylidene-5-methylhex-4-enamide.

Molecular Properties

Compound NameN-ethyl-3-ethylidene-5-methylhex-4-enamide
PubChem CID123412638
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-3-ethylidene-5-methylhex-4-enamide
SMILESCC=C(C=C(C)C)CC(=O)NCC
InChIInChI=1S/C11H19NO/c1-5-10(7-9(3)4)8-11(13)12-6-2/h5,7H,6,8H2,1-4H3,(H,12,13)
InChIKeyNNEGYGNMQIVHAS-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-3-ethylidene-5-methylhex-4-enamide 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-ethyl-3-ethylidene-5-methylhex-4-enamide?
The IUPAC name of N-ethyl-3-ethylidene-5-methylhex-4-enamide (CID 123412638) is N-ethyl-3-ethylidene-5-methylhex-4-enamide.
What is the SMILES notation for N-ethyl-3-ethylidene-5-methylhex-4-enamide?
The canonical SMILES for N-ethyl-3-ethylidene-5-methylhex-4-enamide is CC=C(C=C(C)C)CC(=O)NCC.
What is the InChIKey of N-ethyl-3-ethylidene-5-methylhex-4-enamide?
The InChIKey is NNEGYGNMQIVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(7-9(3)4)8-11(13)12-6-2/h5,7H,6,8H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-3-ethylidene-5-methylhex-4-enamide?
N-ethyl-3-ethylidene-5-methylhex-4-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethylidene-5-methylhex-4-enamide is sourced from PubChem (CID 123412638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).