(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide

C25H49NO2 — CID 53318751

IUPAC(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(2)23-27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-/t24-/m1/s1
InChIKeyNEYMINPKPRBVQZ-AGXIJRPPSA-N
MW395.67 g/mol
LogP7.08
Rot. Bonds21

About (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide

(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide (PubChem CID 53318751) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
PubChem CID53318751
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(2)23-27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-/t24-/m1/s1
InChIKeyNEYMINPKPRBVQZ-AGXIJRPPSA-N
XLogP7.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.08
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

N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(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 (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide?
The IUPAC name of (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide (CID 53318751) is (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide.
What is the SMILES notation for (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide?
The canonical SMILES for (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@H](C)CO.
What is the InChIKey of (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide?
The InChIKey is NEYMINPKPRBVQZ-AGXIJRPPSA-N. The full InChI is InChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(2)23-27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-/t24-/m1/s1.
What are the key properties of (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide?
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide has a molecular weight of 395.67 g/mol, XLogP of 7.08, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide is sourced from PubChem (CID 53318751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).