(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide

C24H47NO2 — CID 58361153

IUPAC(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/b12-11-/t23-/m0/s1
InChIKeyCWQVUGUAXUOWRO-DGVDTQEHSA-N
MW381.65 g/mol
LogP6.55
Rot. Bonds19

About (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide

(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide (PubChem CID 58361153) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide
PubChem CID58361153
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/b12-11-/t23-/m0/s1
InChIKeyCWQVUGUAXUOWRO-DGVDTQEHSA-N
XLogP6.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.55
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide?
The IUPAC name of (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide (CID 58361153) is (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)CC(C)C.
What is the InChIKey of (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide?
The InChIKey is CWQVUGUAXUOWRO-DGVDTQEHSA-N. The full InChI is InChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/b12-11-/t23-/m0/s1.
What are the key properties of (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide?
(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide has a molecular weight of 381.65 g/mol, XLogP of 6.55, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide is sourced from PubChem (CID 58361153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).