(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide

C24H48N2O3 — CID 132550886

IUPAC(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-24(28)23(21-29-3)26-22(2)27/h23H,4-21H2,1-3H3,(H,25,28)(H,26,27)/t23-/m1/s1
InChIKeyXJEAOVZYAOGYKX-HSZRJFAPSA-N
MW412.66 g/mol
LogP5.52
Rot. Bonds21

About (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide

(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide (PubChem CID 132550886) has the molecular formula C24H48N2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide
PubChem CID132550886
Molecular FormulaC24H48N2O3
Molecular Weight412.66 g/mol
Exact Mass412.37
IUPAC Name(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-24(28)23(21-29-3)26-22(2)27/h23H,4-21H2,1-3H3,(H,25,28)(H,26,27)/t23-/m1/s1
InChIKeyXJEAOVZYAOGYKX-HSZRJFAPSA-N
XLogP5.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 55.52
H-Bond Donors ≤ 52
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 (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide?
The IUPAC name of (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide (CID 132550886) is (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide?
The canonical SMILES for (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide?
The InChIKey is XJEAOVZYAOGYKX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-24(28)23(21-29-3)26-22(2)27/h23H,4-21H2,1-3H3,(H,25,28)(H,26,27)/t23-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide?
(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide has a molecular weight of 412.66 g/mol, XLogP of 5.52, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methoxy-N-octadecylpropanamide is sourced from PubChem (CID 132550886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).