N-[(Z)-docos-13-enyl]-2-hydroxypropanamide

C25H49NO2 — CID 86746756

IUPACN-[(Z)-docos-13-enyl]-2-hydroxypropanamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCNC(=O)C(C)O
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-25(28)24(2)27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-
InChIKeyLLOCXIYYZOJTLS-KHPPLWFESA-N
MW395.67 g/mol
LogP7.08
Rot. Bonds21

About N-[(Z)-docos-13-enyl]-2-hydroxypropanamide

N-[(Z)-docos-13-enyl]-2-hydroxypropanamide (PubChem CID 86746756) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is N-[(Z)-docos-13-enyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(Z)-docos-13-enyl]-2-hydroxypropanamide
PubChem CID86746756
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC NameN-[(Z)-docos-13-enyl]-2-hydroxypropanamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCNC(=O)C(C)O
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-25(28)24(2)27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-
InChIKeyLLOCXIYYZOJTLS-KHPPLWFESA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-docos-13-enyl]-2-hydroxypropanamide?
The IUPAC name of N-[(Z)-docos-13-enyl]-2-hydroxypropanamide (CID 86746756) is N-[(Z)-docos-13-enyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(Z)-docos-13-enyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(Z)-docos-13-enyl]-2-hydroxypropanamide is CCCCCCCC/C=C\CCCCCCCCCCCCNC(=O)C(C)O.
What is the InChIKey of N-[(Z)-docos-13-enyl]-2-hydroxypropanamide?
The InChIKey is LLOCXIYYZOJTLS-KHPPLWFESA-N. The full InChI is InChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-25(28)24(2)27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)/b11-10-.
What are the key properties of N-[(Z)-docos-13-enyl]-2-hydroxypropanamide?
N-[(Z)-docos-13-enyl]-2-hydroxypropanamide 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 N-[(Z)-docos-13-enyl]-2-hydroxypropanamide is sourced from PubChem (CID 86746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).