(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide

C43H83NO3 — CID 138192765

IUPAC(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H83NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-42(46)41(40-45)44-43(47)39-37-35-33-31-28-14-12-10-8-6-4-2/h10,12,36,38,41-42,45-46H,3-9,11,13-35,37,39-40H2,1-2H3,(H,44,47)/b12-10-,38-36+
InChIKeyKEUFOOYHALAYTC-RCNUQCFBSA-N
MW662.14 g/mol
LogP12.85
Rot. Bonds38

About (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide

(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide (PubChem CID 138192765) has the molecular formula C43H83NO3 and a molecular weight of 662.14 g/mol. Its IUPAC name is (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide
PubChem CID138192765
Molecular FormulaC43H83NO3
Molecular Weight662.14 g/mol
Exact Mass661.64
IUPAC Name(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H83NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-42(46)41(40-45)44-43(47)39-37-35-33-31-28-14-12-10-8-6-4-2/h10,12,36,38,41-42,45-46H,3-9,11,13-35,37,39-40H2,1-2H3,(H,44,47)/b12-10-,38-36+
InChIKeyKEUFOOYHALAYTC-RCNUQCFBSA-N
XLogP12.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.14
LogP ≤ 512.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-dihydroxynonacos-4-en-2-yl]tetradec-9-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-dihydroxytetradec-4-en-2-yl]tridec-8-enamide
CID 138277505
(Z)-N-[(4E,8E,12E)-1,3-dihydroxyheptadeca-4,8,12-trien-2-yl]hexatriacont-21-enamide
CID 138284819
(Z)-N-[(4E,8E,12E)-1,3-dihydroxyheptadeca-4,8,12-trien-2-yl]tetracos-11-enamide
CID 138222543
(Z)-N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]triacont-15-enamide
CID 138278687
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]tetracos-11-enamide
CID 138129533
(Z)-N-[(E)-1,3-dihydroxynonadec-4-en-2-yl]tetracont-21-enamide
CID 138197072
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]hexacos-11-enamide
CID 138299222
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]nonacos-14-enamide
CID 138131100
(E)-N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]heptadec-9-enamide
CID 134760738
(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]dotriacont-17-enamide
CID 138252214
(Z)-N-[(E)-1,3-dihydroxytriacont-4-en-2-yl]icos-11-enamide
CID 138249187
(E)-N-[(E,2S,3R)-1,3-dihydroxyhenicos-4-en-2-yl]icos-11-enamide
CID 134743621

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide?
The IUPAC name of (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide (CID 138192765) is (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide.
What is the SMILES notation for (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide?
The canonical SMILES for (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide is CCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide?
The InChIKey is KEUFOOYHALAYTC-RCNUQCFBSA-N. The full InChI is InChI=1S/C43H83NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-42(46)41(40-45)44-43(47)39-37-35-33-31-28-14-12-10-8-6-4-2/h10,12,36,38,41-42,45-46H,3-9,11,13-35,37,39-40H2,1-2H3,(H,44,47)/b12-10-,38-36+.
What are the key properties of (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide?
(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide has a molecular weight of 662.14 g/mol, XLogP of 12.85, 38 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide is sourced from PubChem (CID 138192765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).