N-(1-hydroxypropan-2-yl)tetracos-15-enamide

C27H53NO2 — CID 173265118

IUPACN-(1-hydroxypropan-2-yl)tetracos-15-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C27H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(2)25-29/h10-11,26,29H,3-9,12-25H2,1-2H3,(H,28,30)
InChIKeyCMFWSGCMHHVJQV-UHFFFAOYSA-N
MW423.73 g/mol
LogP7.86
Rot. Bonds23

About N-(1-hydroxypropan-2-yl)tetracos-15-enamide

N-(1-hydroxypropan-2-yl)tetracos-15-enamide (PubChem CID 173265118) has the molecular formula C27H53NO2 and a molecular weight of 423.73 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)tetracos-15-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)tetracos-15-enamide
PubChem CID173265118
Molecular FormulaC27H53NO2
Molecular Weight423.73 g/mol
Exact Mass423.41
IUPAC NameN-(1-hydroxypropan-2-yl)tetracos-15-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C27H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(2)25-29/h10-11,26,29H,3-9,12-25H2,1-2H3,(H,28,30)
InChIKeyCMFWSGCMHHVJQV-UHFFFAOYSA-N
XLogP7.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 57.86
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)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
N-pentan-2-ylundecanamide
CID 173258559
3-(heptanoylamino)butanoic acid
CID 43360958
(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
CID 171042572

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)tetracos-15-enamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)tetracos-15-enamide (CID 173265118) is N-(1-hydroxypropan-2-yl)tetracos-15-enamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)tetracos-15-enamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)tetracos-15-enamide is CCCCCCCCC=CCCCCCCCCCCCCCC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)tetracos-15-enamide?
The InChIKey is CMFWSGCMHHVJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(2)25-29/h10-11,26,29H,3-9,12-25H2,1-2H3,(H,28,30).
What are the key properties of N-(1-hydroxypropan-2-yl)tetracos-15-enamide?
N-(1-hydroxypropan-2-yl)tetracos-15-enamide has a molecular weight of 423.73 g/mol, XLogP of 7.86, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)tetracos-15-enamide is sourced from PubChem (CID 173265118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).