(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide

C44H87NO3 — CID 138120124

IUPAC(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-43(47)42(41-46)45-44(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,42-43,46-47H,3-13,15,17-41H2,1-2H3,(H,45,48)/b16-14-
InChIKeyANOBQGSSGBCIPU-PEZBUJJGSA-N
MW678.18 g/mol
LogP13.46
Rot. Bonds40

About (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide

(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide (PubChem CID 138120124) has the molecular formula C44H87NO3 and a molecular weight of 678.18 g/mol. Its IUPAC name is (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide
PubChem CID138120124
Molecular FormulaC44H87NO3
Molecular Weight678.18 g/mol
Exact Mass677.67
IUPAC Name(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-43(47)42(41-46)45-44(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,42-43,46-47H,3-13,15,17-41H2,1-2H3,(H,45,48)/b16-14-
InChIKeyANOBQGSSGBCIPU-PEZBUJJGSA-N
XLogP13.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.18
LogP ≤ 513.46
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-(1,3-dihydroxyhexacosan-2-yl)octadec-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

(E)-N-[(E,2S,3R)-1,3-dihydroxypentadec-8-en-2-yl]heptadec-9-enamide
CID 134718796
(Z)-N-(1,3-dihydroxyhenicosan-2-yl)hexacos-11-enamide
CID 138167486
(Z)-N-(1,3-dihydroxytetracosan-2-yl)dotriacont-17-enamide
CID 138237627
(Z)-N-(1,3-dihydroxynonadecan-2-yl)octatriacont-21-enamide
CID 138176761
(E)-N-[(E,2S,3R)-1,3-dihydroxyheptadec-8-en-2-yl]octadec-9-enamide
CID 134728234
(Z)-N-(1,3-dihydroxytriacontan-2-yl)hentriacont-16-enamide
CID 138217133
(Z)-N-(1,3-dihydroxyhexadecan-2-yl)nonacos-14-enamide
CID 138179430
(Z)-N-(1,3-dihydroxytriacontan-2-yl)tetracont-21-enamide
CID 138179453
(Z)-N-(1,3-dihydroxypentadecan-2-yl)nonadec-9-enamide
CID 138242533
(E)-N-[(E,2S,3R)-1,3-dihydroxyhenicos-8-en-2-yl]icos-11-enamide
CID 134734474
(Z)-N-(1,3-dihydroxydocosan-2-yl)hexadec-7-enamide
CID 138241812
N-[(E,2S,3R)-1,3-dihydroxynonadec-8-en-2-yl]pentadecanamide
CID 134752410

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide?
The IUPAC name of (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide (CID 138120124) is (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide.
What is the SMILES notation for (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide?
The canonical SMILES for (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide is CCCCCC/C=C\CCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide?
The InChIKey is ANOBQGSSGBCIPU-PEZBUJJGSA-N. The full InChI is InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-43(47)42(41-46)45-44(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,42-43,46-47H,3-13,15,17-41H2,1-2H3,(H,45,48)/b16-14-.
What are the key properties of (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide?
(Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide has a molecular weight of 678.18 g/mol, XLogP of 13.46, 40 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-dihydroxyhexacosan-2-yl)octadec-11-enamide is sourced from PubChem (CID 138120124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).