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

C12H24N2O3 — CID 132550888

IUPAC(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
SMILESCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-5-6-7-8-13-12(16)11(9-17-3)14-10(2)15/h11H,4-9H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1
InChIKeyCQLQKHPYYLAPHO-LLVKDONJSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds9

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

(2R)-2-acetamido-N-hexyl-3-methoxypropanamide (PubChem CID 132550888) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-acetamido-N-hexyl-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
PubChem CID132550888
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
SMILESCCCCCCNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-5-6-7-8-13-12(16)11(9-17-3)14-10(2)15/h11H,4-9H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1
InChIKeyCQLQKHPYYLAPHO-LLVKDONJSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
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-hexyl-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-hexyl-3-methoxypropanamide (CID 132550888) is (2R)-2-acetamido-N-hexyl-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-hexyl-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-hexyl-3-methoxypropanamide is CCCCCCNC(=O)[C@@H](COC)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-hexyl-3-methoxypropanamide?
The InChIKey is CQLQKHPYYLAPHO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-6-7-8-13-12(16)11(9-17-3)14-10(2)15/h11H,4-9H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-hexyl-3-methoxypropanamide?
(2R)-2-acetamido-N-hexyl-3-methoxypropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-hexyl-3-methoxypropanamide is sourced from PubChem (CID 132550888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).