2-(1-hydroxypropan-2-yl)octadec-9-enamide

C21H41NO2 — CID 173264917

IUPAC2-(1-hydroxypropan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(C)CO
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21(22)24)19(2)18-23/h10-11,19-20,23H,3-9,12-18H2,1-2H3,(H2,22,24)
InChIKeyUDPHUQCAHUOLES-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.36
Rot. Bonds17

About 2-(1-hydroxypropan-2-yl)octadec-9-enamide

2-(1-hydroxypropan-2-yl)octadec-9-enamide (PubChem CID 173264917) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)octadec-9-enamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)octadec-9-enamide
PubChem CID173264917
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name2-(1-hydroxypropan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(C)CO
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21(22)24)19(2)18-23/h10-11,19-20,23H,3-9,12-18H2,1-2H3,(H2,22,24)
InChIKeyUDPHUQCAHUOLES-UHFFFAOYSA-N
XLogP5.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.36
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

(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
2-(1-hydroxybutan-2-yl)octadec-9-enamide
CID 173264818
3-methyl-2-tetradecylhenicosanamide
CID 175222412
ethyl (Z)-3-carbamoyl-2-[(Z)-hexadec-7-enyl]nonadec-10-enoate
CID 163211711
(E)-2-methyloctadec-9-enamide
CID 19371032
2-heptan-3-yloctadec-9-enamide
CID 173151997
(Z)-N-(3-carbamoyltridecan-2-yl)octadec-9-enamide
CID 175075268
2-hexadecylicos-11-enamide
CID 173011844
2-methylicosa-11,14-dienamide
CID 175746328
(Z)-2-dodecan-2-yloctadec-9-enoic acid
CID 175593918
(Z)-2-aminooctadec-9-enamide
CID 56663673

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)octadec-9-enamide?
The IUPAC name of 2-(1-hydroxypropan-2-yl)octadec-9-enamide (CID 173264917) is 2-(1-hydroxypropan-2-yl)octadec-9-enamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)octadec-9-enamide?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)octadec-9-enamide is CCCCCCCCC=CCCCCCCC(C(N)=O)C(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)octadec-9-enamide?
The InChIKey is UDPHUQCAHUOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21(22)24)19(2)18-23/h10-11,19-20,23H,3-9,12-18H2,1-2H3,(H2,22,24).
What are the key properties of 2-(1-hydroxypropan-2-yl)octadec-9-enamide?
2-(1-hydroxypropan-2-yl)octadec-9-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.36, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)octadec-9-enamide is sourced from PubChem (CID 173264917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).