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

C35H69NO3 — CID 76712407

IUPAC2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
SMILESCCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-4-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-33(37)32(6-3)36-35(39)34(38)31-29-27-25-22-16-14-12-10-8-5-2/h15,17,32-34,37-38H,4-14,16,18-31H2,1-3H3,(H,36,39)
InChIKeyLTYHUBUEZVDHGK-UHFFFAOYSA-N
MW551.94 g/mol
LogP9.95
Rot. Bonds30

About 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide

2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide (PubChem CID 76712407) has the molecular formula C35H69NO3 and a molecular weight of 551.94 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
PubChem CID76712407
Molecular FormulaC35H69NO3
Molecular Weight551.94 g/mol
Exact Mass551.53
IUPAC Name2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
SMILESCCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-4-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-33(37)32(6-3)36-35(39)34(38)31-29-27-25-22-16-14-12-10-8-5-2/h15,17,32-34,37-38H,4-14,16,18-31H2,1-3H3,(H,36,39)
InChIKeyLTYHUBUEZVDHGK-UHFFFAOYSA-N
XLogP9.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.94
LogP ≤ 59.95
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'}

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Related Compounds

2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
CID 58241414
(Z)-N-(1,3-dihydroxyoctadecan-2-yl)-2-hydroxyicos-11-enamide
CID 138164665
(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxypentadec-9-enamide
CID 138295476
(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-dihydroxydocosan-2-yl)-2-hydroxypentadec-9-enamide
CID 138278115
(Z)-N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxypentacos-11-enamide
CID 138199570

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide (CID 76712407) is 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide is CCCCCCC=CCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
The InChIKey is LTYHUBUEZVDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69NO3/c1-4-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-33(37)32(6-3)36-35(39)34(38)31-29-27-25-22-16-14-12-10-8-5-2/h15,17,32-34,37-38H,4-14,16,18-31H2,1-3H3,(H,36,39).
What are the key properties of 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide?
2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide has a molecular weight of 551.94 g/mol, XLogP of 9.95, 30 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide is sourced from PubChem (CID 76712407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).