N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide

C24H45NO3 — CID 101346459

IUPACN-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide
SMILESCCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)NC(=O)CCCCC
InChIInChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22,26H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-/m0/s1
InChIKeyLNIDNIDZOHWZTA-WUKBZCGHSA-N
MW395.63 g/mol
LogP5.87
Rot. Bonds20

About N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide

N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide (PubChem CID 101346459) has the molecular formula C24H45NO3 and a molecular weight of 395.63 g/mol. Its IUPAC name is N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide
PubChem CID101346459
Molecular FormulaC24H45NO3
Molecular Weight395.63 g/mol
Exact Mass395.34
IUPAC NameN-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide
SMILESCCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)NC(=O)CCCCC
InChIInChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22,26H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-/m0/s1
InChIKeyLNIDNIDZOHWZTA-WUKBZCGHSA-N
XLogP5.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide 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

(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
2-(octadec-9-enoylamino)butanoic acid
CID 85040613
3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 5283390
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide?
The IUPAC name of N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide (CID 101346459) is N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide.
What is the SMILES notation for N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide?
The canonical SMILES for N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide is CCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)NC(=O)CCCCC.
What is the InChIKey of N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide?
The InChIKey is LNIDNIDZOHWZTA-WUKBZCGHSA-N. The full InChI is InChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22,26H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-/m0/s1.
What are the key properties of N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide?
N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide has a molecular weight of 395.63 g/mol, XLogP of 5.87, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide is sourced from PubChem (CID 101346459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).