N-(1-hydroxyoctadec-3-en-2-yl)acetamide

C20H39NO2 — CID 73074120

IUPACN-(1-hydroxyoctadec-3-en-2-yl)acetamide
SMILESCCCCCCCCCCCCCCC=CC(CO)NC(C)=O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-22)21-19(2)23/h16-17,20,22H,3-15,18H2,1-2H3,(H,21,23)
InChIKeyNXAVRFSNBHVLCH-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.13
Rot. Bonds16

About N-(1-hydroxyoctadec-3-en-2-yl)acetamide

N-(1-hydroxyoctadec-3-en-2-yl)acetamide (PubChem CID 73074120) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-(1-hydroxyoctadec-3-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxyoctadec-3-en-2-yl)acetamide
PubChem CID73074120
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-(1-hydroxyoctadec-3-en-2-yl)acetamide
SMILESCCCCCCCCCCCCCCC=CC(CO)NC(C)=O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-22)21-19(2)23/h16-17,20,22H,3-15,18H2,1-2H3,(H,21,23)
InChIKeyNXAVRFSNBHVLCH-UHFFFAOYSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.13
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-(1-hydroxyoctadec-3-en-2-yl)acetamide?
The IUPAC name of N-(1-hydroxyoctadec-3-en-2-yl)acetamide (CID 73074120) is N-(1-hydroxyoctadec-3-en-2-yl)acetamide.
What is the SMILES notation for N-(1-hydroxyoctadec-3-en-2-yl)acetamide?
The canonical SMILES for N-(1-hydroxyoctadec-3-en-2-yl)acetamide is CCCCCCCCCCCCCCC=CC(CO)NC(C)=O.
What is the InChIKey of N-(1-hydroxyoctadec-3-en-2-yl)acetamide?
The InChIKey is NXAVRFSNBHVLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-22)21-19(2)23/h16-17,20,22H,3-15,18H2,1-2H3,(H,21,23).
What are the key properties of N-(1-hydroxyoctadec-3-en-2-yl)acetamide?
N-(1-hydroxyoctadec-3-en-2-yl)acetamide has a molecular weight of 325.54 g/mol, XLogP of 5.13, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyoctadec-3-en-2-yl)acetamide is sourced from PubChem (CID 73074120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).