(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide

C21H41NO2 — CID 135232048

IUPAC(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide
SMILESCCCCCCC(O)C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19(2)3/h11,14,19-20,23H,4-10,12-13,15-18H2,1-3H3,(H,22,24)/b14-11-
InChIKeyJNGPQWHPKULBSE-KAMYIIQDSA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds16

About (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide

(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide (PubChem CID 135232048) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide
PubChem CID135232048
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide
SMILESCCCCCCC(O)C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19(2)3/h11,14,19-20,23H,4-10,12-13,15-18H2,1-3H3,(H,22,24)/b14-11-
InChIKeyJNGPQWHPKULBSE-KAMYIIQDSA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.52
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,12R)-12-hydroxy-N-[(Z,12R)-12-hydroxyoctadec-9-enoyl]octadec-9-enamide
CID 87119921
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
(2S)-2-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]-4-methylpentanoic acid
CID 14728425
(12R)-12-hydroxy-N-(2-hydroxypropyl)octadec-9-enamide
CID 54105430
(12R)-12-hydroxy-N-propyloctadec-9-enamide
CID 54296385
12-hydroxy-N-[2-hydroxy-3-(12-hydroxyoctadec-9-enoylamino)propyl]octadec-9-enamide
CID 54253409
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
[carboxy-[[(12R)-12-hydroxyoctadec-9-enoyl]amino]methyl]-trimethylazanium
CID 123180158
(Z)-octadec-10-en-8-ol
CID 173051806

Frequently Asked Questions

What is the IUPAC name of (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide?
The IUPAC name of (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide (CID 135232048) is (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide.
What is the SMILES notation for (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide?
The canonical SMILES for (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide is CCCCCCC(O)C/C=C\CCCCCCCC(=O)NC(C)C.
What is the InChIKey of (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide?
The InChIKey is JNGPQWHPKULBSE-KAMYIIQDSA-N. The full InChI is InChI=1S/C21H41NO2/c1-4-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19(2)3/h11,14,19-20,23H,4-10,12-13,15-18H2,1-3H3,(H,22,24)/b14-11-.
What are the key properties of (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide?
(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.52, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide is sourced from PubChem (CID 135232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).