N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide

C35H69NO2 — CID 76712413

IUPACN-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
SMILESCCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H69NO2/c1-4-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-34(37)33(6-3)36-35(38)32-30-28-26-24-21-16-14-12-10-8-5-2/h15,17,33-34,37H,4-14,16,18-32H2,1-3H3,(H,36,38)
InChIKeyZISVWUUODFTAHG-UHFFFAOYSA-N
MW535.94 g/mol
LogP10.98
Rot. Bonds30

About N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide

N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide (PubChem CID 76712413) has the molecular formula C35H69NO2 and a molecular weight of 535.94 g/mol. Its IUPAC name is N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide.

Molecular Properties

Compound NameN-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
PubChem CID76712413
Molecular FormulaC35H69NO2
Molecular Weight535.94 g/mol
Exact Mass535.53
IUPAC NameN-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
SMILESCCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H69NO2/c1-4-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-34(37)33(6-3)36-35(38)32-30-28-26-24-21-16-14-12-10-8-5-2/h15,17,33-34,37H,4-14,16,18-32H2,1-3H3,(H,36,38)
InChIKeyZISVWUUODFTAHG-UHFFFAOYSA-N
XLogP10.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.94
LogP ≤ 510.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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 N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The IUPAC name of N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide (CID 76712413) is N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide.
What is the SMILES notation for N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The canonical SMILES for N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide is CCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The InChIKey is ZISVWUUODFTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69NO2/c1-4-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-34(37)33(6-3)36-35(38)32-30-28-26-24-21-16-14-12-10-8-5-2/h15,17,33-34,37H,4-14,16,18-32H2,1-3H3,(H,36,38).
What are the key properties of N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide has a molecular weight of 535.94 g/mol, XLogP of 10.98, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide is sourced from PubChem (CID 76712413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).