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

C18H32N2O — CID 164526353

IUPACethane;(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.CC
InChIInChI=1S/C16H26N2O.C2H6/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2;1-2/h8-11H,6-7,12H2,1-5H3,(H,18,19);1-2H3/b13-11+,14-8+,15-9-,17-10+;
InChIKeyQTZVILFEGVEQPG-NXSZSTSLSA-N
MW292.47 g/mol
LogP4.82
Rot. Bonds7

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

ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide (PubChem CID 164526353) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide.

Molecular Properties

Compound Nameethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
PubChem CID164526353
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Nameethane;(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.CC
InChIInChI=1S/C16H26N2O.C2H6/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2;1-2/h8-11H,6-7,12H2,1-5H3,(H,18,19);1-2H3/b13-11+,14-8+,15-9-,17-10+;
InChIKeyQTZVILFEGVEQPG-NXSZSTSLSA-N
XLogP4.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.82
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The IUPAC name of ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide (CID 164526353) is ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide.
What is the SMILES notation for ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
The InChIKey is QTZVILFEGVEQPG-NXSZSTSLSA-N. The full InChI is InChI=1S/C16H26N2O.C2H6/c1-6-10-17-15(9-4)12-18-16(19)14(8-3)11-13(5)7-2;1-2/h8-11H,6-7,12H2,1-5H3,(H,18,19);1-2H3/b13-11+,14-8+,15-9-,17-10+;.
What are the key properties of ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide?
ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide has a molecular weight of 292.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide is sourced from PubChem (CID 164526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).