(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide

C32H63NO4 — CID 138295476

IUPAC(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C32H63NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-30(35)29(28-34)33-32(37)31(36)27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,29-31,34-36H,3-11,13,15-28H2,1-2H3,(H,33,37)/b14-12-
InChIKeyXFEVTNKMGQMSIH-OWBHPGMISA-N
MW525.86 g/mol
LogP7.75
Rot. Bonds28

About (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide

(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide (PubChem CID 138295476) has the molecular formula C32H63NO4 and a molecular weight of 525.86 g/mol. Its IUPAC name is (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide
PubChem CID138295476
Molecular FormulaC32H63NO4
Molecular Weight525.86 g/mol
Exact Mass525.48
IUPAC Name(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C32H63NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-30(35)29(28-34)33-32(37)31(36)27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,29-31,34-36H,3-11,13,15-28H2,1-2H3,(H,33,37)/b14-12-
InChIKeyXFEVTNKMGQMSIH-OWBHPGMISA-N
XLogP7.75
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.86
LogP ≤ 57.75
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-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-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-(1,3-dihydroxydocosan-2-yl)-2-hydroxypentadec-9-enamide
CID 138278115
(Z)-N-(1,3-dihydroxynonacosan-2-yl)-2-hydroxyhexacos-11-enamide
CID 138303619
(Z)-N-(1,3-dihydroxynonadecan-2-yl)-2-hydroxypentacos-11-enamide
CID 138266026
(Z)-N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxynonadec-9-enamide
CID 138134982
(Z)-N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxyoctatriacont-21-enamide
CID 138212666
(Z)-N-(1,3-dihydroxynonadecan-2-yl)-2-hydroxyoctatriacont-21-enamide
CID 138279941
(Z)-N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxytricos-11-enamide
CID 138277509
(Z)-N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxydocos-11-enamide
CID 138247363
(Z)-N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxypentacos-11-enamide
CID 138199570
(Z)-N-(1,3-dihydroxyoctadecan-2-yl)-2-hydroxyicos-11-enamide
CID 138164665
(Z)-N-(1,3-dihydroxytricosan-2-yl)-2-hydroxypentatriacont-20-enamide
CID 138280332
(Z)-N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxytetracos-11-enamide
CID 138294240

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide?
The IUPAC name of (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide (CID 138295476) is (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide.
What is the SMILES notation for (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide?
The canonical SMILES for (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide is CCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide?
The InChIKey is XFEVTNKMGQMSIH-OWBHPGMISA-N. The full InChI is InChI=1S/C32H63NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-30(35)29(28-34)33-32(37)31(36)27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,29-31,34-36H,3-11,13,15-28H2,1-2H3,(H,33,37)/b14-12-.
What are the key properties of (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide?
(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide has a molecular weight of 525.86 g/mol, XLogP of 7.75, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide is sourced from PubChem (CID 138295476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).