N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide

C24H45NO2 — CID 123155537

IUPACN-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NC(C)(CO)C(C)C
InChIInChI=1S/C24H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)25-24(4,21-26)22(2)3/h9-10,12-13,22,26H,5-8,11,14-21H2,1-4H3,(H,25,27)
InChIKeyUXFBHLBUFOXYFJ-UHFFFAOYSA-N
MW379.63 g/mol
LogP6.32
Rot. Bonds17

About N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide

N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide (PubChem CID 123155537) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
PubChem CID123155537
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC NameN-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NC(C)(CO)C(C)C
InChIInChI=1S/C24H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)25-24(4,21-26)22(2)3/h9-10,12-13,22,26H,5-8,11,14-21H2,1-4H3,(H,25,27)
InChIKeyUXFBHLBUFOXYFJ-UHFFFAOYSA-N
XLogP6.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.32
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'}

Analyze N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide 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

N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine
CID 5283404
Oleoyl-valinol
CID 44201124
(Z)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide
CID 44218907
9-Octadecenamide, N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-, (Z)-
CID 6453844
(E)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide
CID 71583469
(E)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide
CID 71583470
(9Z,12Z)-N-(1-hydroxybutan-2-yl)octadeca-9,12-dienamide
CID 58654974
9-Octadecenamide, N-(2-hydroxy-1,1-dimethylethyl)-, (9Z)-
CID 6437744
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]octadec-9-enamide
CID 54328016
(9E,12E)-N-(1-hydroxy-2-methylpropan-2-yl)octadeca-9,12-dienamide
CID 13932044
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]octadec-9-enamide
CID 15405376
(E)-N-(1-hydroxybutan-2-yl)octadec-9-enamide
CID 18431691

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The IUPAC name of N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide (CID 123155537) is N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide.
What is the SMILES notation for N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The canonical SMILES for N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)NC(C)(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The InChIKey is UXFBHLBUFOXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)25-24(4,21-26)22(2)3/h9-10,12-13,22,26H,5-8,11,14-21H2,1-4H3,(H,25,27).
What are the key properties of N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide has a molecular weight of 379.63 g/mol, XLogP of 6.32, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide is sourced from PubChem (CID 123155537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).