(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide

C13H17IN2O3 — CID 45486399

IUPAC(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyULXQVKABLWOAGQ-GFCCVEGCSA-N
MW376.19 g/mol
LogP1.06
Rot. Bonds6

About (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide (PubChem CID 45486399) has the molecular formula C13H17IN2O3 and a molecular weight of 376.19 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide
PubChem CID45486399
Molecular FormulaC13H17IN2O3
Molecular Weight376.19 g/mol
Exact Mass376.03
IUPAC Name(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyULXQVKABLWOAGQ-GFCCVEGCSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide (CID 45486399) is (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(I)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide?
The InChIKey is ULXQVKABLWOAGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17IN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide has a molecular weight of 376.19 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(4-iodophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 45486399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).