(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide

C16H26N2O — CID 164526354

IUPAC(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
SMILESC/C=C(CNC(=O)C(/C=C(\C)CC)=C/C)\N=C\CC
InChIInChI=1S/C16H26N2O/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2/h8-11H,6-7,12H2,1-5H3,(H,18,19)/b13-11+,14-8+,15-9-,17-10+
InChIKeyBRZKKRJDGRCUSQ-BTPUJYAZSA-N
MW262.40 g/mol
LogP3.79
Rot. Bonds7

About (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide

(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide (PubChem CID 164526354) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide.

Molecular Properties

Compound Name(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
PubChem CID164526354
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
SMILESC/C=C(CNC(=O)C(/C=C(\C)CC)=C/C)\N=C\CC
InChIInChI=1S/C16H26N2O/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2/h8-11H,6-7,12H2,1-5H3,(H,18,19)/b13-11+,14-8+,15-9-,17-10+
InChIKeyBRZKKRJDGRCUSQ-BTPUJYAZSA-N
XLogP3.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-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 (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The IUPAC name of (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide (CID 164526354) is (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide.
What is the SMILES notation for (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The canonical SMILES for (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide is C/C=C(CNC(=O)C(/C=C(\C)CC)=C/C)\N=C\CC.
What is the InChIKey of (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The InChIKey is BRZKKRJDGRCUSQ-BTPUJYAZSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2/h8-11H,6-7,12H2,1-5H3,(H,18,19)/b13-11+,14-8+,15-9-,17-10+.
What are the key properties of (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide has a molecular weight of 262.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide is sourced from PubChem (CID 164526354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).