N-hexan-2-yl-18-hydroxyoctadec-2-enamide

C24H47NO2 — CID 123745631

IUPACN-hexan-2-yl-18-hydroxyoctadec-2-enamide
SMILESCCCCC(C)NC(=O)C=CCCCCCCCCCCCCCCCO
InChIInChI=1S/C24H47NO2/c1-3-4-20-23(2)25-24(27)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-26/h18,21,23,26H,3-17,19-20,22H2,1-2H3,(H,25,27)
InChIKeyVPHGAIVDUQWGRU-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.69
Rot. Bonds20

About N-hexan-2-yl-18-hydroxyoctadec-2-enamide

N-hexan-2-yl-18-hydroxyoctadec-2-enamide (PubChem CID 123745631) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is N-hexan-2-yl-18-hydroxyoctadec-2-enamide.

Molecular Properties

Compound NameN-hexan-2-yl-18-hydroxyoctadec-2-enamide
PubChem CID123745631
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC NameN-hexan-2-yl-18-hydroxyoctadec-2-enamide
SMILESCCCCC(C)NC(=O)C=CCCCCCCCCCCCCCCCO
InChIInChI=1S/C24H47NO2/c1-3-4-20-23(2)25-24(27)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-26/h18,21,23,26H,3-17,19-20,22H2,1-2H3,(H,25,27)
InChIKeyVPHGAIVDUQWGRU-UHFFFAOYSA-N
XLogP6.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-2-enoyl]amino]propyl]amino]propan-2-yl]non-2-enamide
CID 101285823
(E)-N-[1-[2-[[(E)-oct-2-enoyl]amino]propylamino]propan-2-yl]oct-2-enamide
CID 102116504
N-(1,3-dihydroxynonadec-4-en-2-yl)-21-hydroxyhenicos-2-enamide
CID 139761880
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
sodium (2S)-2-(heptadec-2-enoylamino)-3-methylbutanoate
CID 141400663
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
2-[[(E)-undec-2-enoyl]amino]pentanedioic acid
CID 90258065
(Z)-4-(heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 139663098
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-heptadec-12-en-1-ol
CID 87814318

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-18-hydroxyoctadec-2-enamide?
The IUPAC name of N-hexan-2-yl-18-hydroxyoctadec-2-enamide (CID 123745631) is N-hexan-2-yl-18-hydroxyoctadec-2-enamide.
What is the SMILES notation for N-hexan-2-yl-18-hydroxyoctadec-2-enamide?
The canonical SMILES for N-hexan-2-yl-18-hydroxyoctadec-2-enamide is CCCCC(C)NC(=O)C=CCCCCCCCCCCCCCCCO.
What is the InChIKey of N-hexan-2-yl-18-hydroxyoctadec-2-enamide?
The InChIKey is VPHGAIVDUQWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-3-4-20-23(2)25-24(27)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-26/h18,21,23,26H,3-17,19-20,22H2,1-2H3,(H,25,27).
What are the key properties of N-hexan-2-yl-18-hydroxyoctadec-2-enamide?
N-hexan-2-yl-18-hydroxyoctadec-2-enamide has a molecular weight of 381.65 g/mol, XLogP of 6.69, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-18-hydroxyoctadec-2-enamide is sourced from PubChem (CID 123745631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).