(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide

C23H36N2O3 — CID 144818106

IUPAC(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide
SMILESCCNC(=O)CCC/C=C\CC1C=CC(=O)/C1=C/CCCCN1CCOCC1
InChIInChI=1S/C23H36N2O3/c1-2-24-23(27)12-8-4-3-6-10-20-13-14-22(26)21(20)11-7-5-9-15-25-16-18-28-19-17-25/h3,6,11,13-14,20H,2,4-5,7-10,12,15-19H2,1H3,(H,24,27)/b6-3-,21-11+
InChIKeyOCUNUNBXEUXNGZ-NEJVJQNASA-N
MW388.55 g/mol
LogP3.42
Rot. Bonds12

About (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide

(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide (PubChem CID 144818106) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide
PubChem CID144818106
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide
SMILESCCNC(=O)CCC/C=C\CC1C=CC(=O)/C1=C/CCCCN1CCOCC1
InChIInChI=1S/C23H36N2O3/c1-2-24-23(27)12-8-4-3-6-10-20-13-14-22(26)21(20)11-7-5-9-15-25-16-18-28-19-17-25/h3,6,11,13-14,20H,2,4-5,7-10,12,15-19H2,1H3,(H,24,27)/b6-3-,21-11+
InChIKeyOCUNUNBXEUXNGZ-NEJVJQNASA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-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 (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide?
The IUPAC name of (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide (CID 144818106) is (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide.
What is the SMILES notation for (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide?
The canonical SMILES for (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide is CCNC(=O)CCC/C=C\CC1C=CC(=O)/C1=C/CCCCN1CCOCC1.
What is the InChIKey of (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide?
The InChIKey is OCUNUNBXEUXNGZ-NEJVJQNASA-N. The full InChI is InChI=1S/C23H36N2O3/c1-2-24-23(27)12-8-4-3-6-10-20-13-14-22(26)21(20)11-7-5-9-15-25-16-18-28-19-17-25/h3,6,11,13-14,20H,2,4-5,7-10,12,15-19H2,1H3,(H,24,27)/b6-3-,21-11+.
What are the key properties of (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide?
(Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide has a molecular weight of 388.55 g/mol, XLogP of 3.42, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-7-[(5E)-5-(5-morpholin-4-ylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide is sourced from PubChem (CID 144818106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).