(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide

C31H61NO5 — CID 138227369

IUPAC(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide
SMILESCCCCCCCC/C=C\CCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC
InChIInChI=1S/C31H61NO5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(35)31(37)32-27(26-33)30(36)28(34)24-22-20-18-16-12-10-8-6-4-2/h15,17,27-30,33-36H,3-14,16,18-26H2,1-2H3,(H,32,37)/b17-15-
InChIKeyOINCGMUEPWHDNY-ICFOKQHNSA-N
MW527.83 g/mol
LogP6.33
Rot. Bonds27

About (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide

(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide (PubChem CID 138227369) has the molecular formula C31H61NO5 and a molecular weight of 527.83 g/mol. Its IUPAC name is (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide
PubChem CID138227369
Molecular FormulaC31H61NO5
Molecular Weight527.83 g/mol
Exact Mass527.45
IUPAC Name(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide
SMILESCCCCCCCC/C=C\CCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC
InChIInChI=1S/C31H61NO5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(35)31(37)32-27(26-33)30(36)28(34)24-22-20-18-16-12-10-8-6-4-2/h15,17,27-30,33-36H,3-14,16,18-26H2,1-2H3,(H,32,37)/b17-15-
InChIKeyOINCGMUEPWHDNY-ICFOKQHNSA-N
XLogP6.33
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.83
LogP ≤ 56.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-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)-2-hydroxy-N-(1,3,4-trihydroxytriacontan-2-yl)icos-11-enamide
CID 138151449
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)nonadec-9-enamide
CID 138179224
(Z)-2-hydroxy-N-(1,3,4-trihydroxyheptadecan-2-yl)docos-11-enamide
CID 138162729
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide
CID 162850318
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)icos-11-enamide
CID 138178236
(Z)-2-hydroxy-N-(1,3,4-trihydroxyoctacosan-2-yl)tetracos-11-enamide
CID 138162650
(Z)-2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)octacos-13-enamide
CID 138194620
(Z)-2-hydroxy-N-(1,3,4-trihydroxyheptadecan-2-yl)heptacos-12-enamide
CID 138249739
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)hentriacont-16-enamide
CID 138232769
(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide
CID 138147669
(Z)-2-hydroxy-N-(1,3,4-trihydroxydocosan-2-yl)tetracos-11-enamide
CID 138151631
(E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracos-10-enamide
CID 66561761

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide?
The IUPAC name of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide (CID 138227369) is (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide.
What is the SMILES notation for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide?
The canonical SMILES for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide is CCCCCCCC/C=C\CCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC.
What is the InChIKey of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide?
The InChIKey is OINCGMUEPWHDNY-ICFOKQHNSA-N. The full InChI is InChI=1S/C31H61NO5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(35)31(37)32-27(26-33)30(36)28(34)24-22-20-18-16-12-10-8-6-4-2/h15,17,27-30,33-36H,3-14,16,18-26H2,1-2H3,(H,32,37)/b17-15-.
What are the key properties of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide?
(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide has a molecular weight of 527.83 g/mol, XLogP of 6.33, 27 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)hexadec-7-enamide is sourced from PubChem (CID 138227369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).