2-acetamido-3-hydroxyoctadecanoic acid

C20H39NO4 — CID 18625187

IUPAC2-acetamido-3-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(O)C(NC(C)=O)C(=O)O
InChIInChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)19(20(24)25)21-17(2)22/h18-19,23H,3-16H2,1-2H3,(H,21,22)(H,24,25)
InChIKeySPVKWFPKDJCWTQ-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.42
Rot. Bonds17

About 2-acetamido-3-hydroxyoctadecanoic acid

2-acetamido-3-hydroxyoctadecanoic acid (PubChem CID 18625187) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-acetamido-3-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name2-acetamido-3-hydroxyoctadecanoic acid
PubChem CID18625187
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name2-acetamido-3-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(O)C(NC(C)=O)C(=O)O
InChIInChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)19(20(24)25)21-17(2)22/h18-19,23H,3-16H2,1-2H3,(H,21,22)(H,24,25)
InChIKeySPVKWFPKDJCWTQ-UHFFFAOYSA-N
XLogP4.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-hydroxyoctadecanoic acid?
The IUPAC name of 2-acetamido-3-hydroxyoctadecanoic acid (CID 18625187) is 2-acetamido-3-hydroxyoctadecanoic acid.
What is the SMILES notation for 2-acetamido-3-hydroxyoctadecanoic acid?
The canonical SMILES for 2-acetamido-3-hydroxyoctadecanoic acid is CCCCCCCCCCCCCCCC(O)C(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-hydroxyoctadecanoic acid?
The InChIKey is SPVKWFPKDJCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)19(20(24)25)21-17(2)22/h18-19,23H,3-16H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 2-acetamido-3-hydroxyoctadecanoic acid?
2-acetamido-3-hydroxyoctadecanoic acid has a molecular weight of 357.54 g/mol, XLogP of 4.42, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxyoctadecanoic acid is sourced from PubChem (CID 18625187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).