(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide

C18H36N2O3 — CID 132550890

IUPAC(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C18H36N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-18(22)17(15-23-3)20-16(2)21/h17H,4-15H2,1-3H3,(H,19,22)(H,20,21)/t17-/m1/s1
InChIKeyYFJOHWPJLUTQJZ-QGZVFWFLSA-N
MW328.50 g/mol
LogP3.17
Rot. Bonds15

About (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide

(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide (PubChem CID 132550890) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide
PubChem CID132550890
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C18H36N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-18(22)17(15-23-3)20-16(2)21/h17H,4-15H2,1-3H3,(H,19,22)(H,20,21)/t17-/m1/s1
InChIKeyYFJOHWPJLUTQJZ-QGZVFWFLSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.17
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-N-dodecyl-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide (CID 132550890) is (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide is CCCCCCCCCCCCNC(=O)[C@@H](COC)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide?
The InChIKey is YFJOHWPJLUTQJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-18(22)17(15-23-3)20-16(2)21/h17H,4-15H2,1-3H3,(H,19,22)(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide?
(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide has a molecular weight of 328.50 g/mol, XLogP of 3.17, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-dodecyl-3-methoxypropanamide is sourced from PubChem (CID 132550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).