(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide

C38H73NO4 — CID 138224665

IUPAC(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide
SMILESCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCC/C=C\CCCCCCCCCCCC
InChIInChI=1S/C38H73NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-12-10-8-6-4-2/h19-20,30,32,35-37,40-42H,3-18,21-29,31,33-34H2,1-2H3,(H,39,43)/b20-19-,32-30+
InChIKeyOADRXEULMAMVGZ-AIYLDJHLSA-N
MW608.01 g/mol
LogP9.87
Rot. Bonds33

About (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide

(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide (PubChem CID 138224665) has the molecular formula C38H73NO4 and a molecular weight of 608.01 g/mol. Its IUPAC name is (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide.

Molecular Properties

Compound Name(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide
PubChem CID138224665
Molecular FormulaC38H73NO4
Molecular Weight608.01 g/mol
Exact Mass607.55
IUPAC Name(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide
SMILESCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCC/C=C\CCCCCCCCCCCC
InChIInChI=1S/C38H73NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-12-10-8-6-4-2/h19-20,30,32,35-37,40-42H,3-18,21-29,31,33-34H2,1-2H3,(H,39,43)/b20-19-,32-30+
InChIKeyOADRXEULMAMVGZ-AIYLDJHLSA-N
XLogP9.87
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.01
LogP ≤ 59.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]-2-hydroxyoctadec-11-enamide
CID 138296954
(Z)-N-[(E)-1,3-dihydroxytriacont-4-en-2-yl]-2-hydroxyhexatriacont-21-enamide
CID 138150117
(Z)-N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]-2-hydroxyhentriacont-16-enamide
CID 138253608
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyoctatriacont-21-enamide
CID 138271669
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]-2-hydroxytetracos-11-enamide
CID 138315045
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyoctadec-11-enamide
CID 138317272
(Z)-N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]-2-hydroxynonadec-9-enamide
CID 138237462
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyhexadec-7-enamide
CID 138276922
(Z)-N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]-2-hydroxynonacos-14-enamide
CID 138158234
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyheptacos-12-enamide
CID 138154543
(Z)-N-[(E)-1,3-dihydroxytricos-4-en-2-yl]-2-hydroxyhentriacont-16-enamide
CID 138146704
(Z)-N-[(E)-1,3-dihydroxyicos-4-en-2-yl]-2-hydroxyicos-11-enamide
CID 138173502

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide?
The IUPAC name of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide (CID 138224665) is (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide.
What is the SMILES notation for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide?
The canonical SMILES for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide is CCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCC/C=C\CCCCCCCCCCCC.
What is the InChIKey of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide?
The InChIKey is OADRXEULMAMVGZ-AIYLDJHLSA-N. The full InChI is InChI=1S/C38H73NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-12-10-8-6-4-2/h19-20,30,32,35-37,40-42H,3-18,21-29,31,33-34H2,1-2H3,(H,39,43)/b20-19-,32-30+.
What are the key properties of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide?
(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide has a molecular weight of 608.01 g/mol, XLogP of 9.87, 33 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxytetracos-11-enamide is sourced from PubChem (CID 138224665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).