(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide

C14H20N2O3 — CID 11499935

IUPAC(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide
SMILESCCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t13-/m1/s1
InChIKeyVEEHBRVUEHYHQQ-CYBMUJFWSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds7

About (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide

(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide (PubChem CID 11499935) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide
PubChem CID11499935
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide
SMILESCCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t13-/m1/s1
InChIKeyVEEHBRVUEHYHQQ-CYBMUJFWSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide (CID 11499935) is (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide is CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide?
The InChIKey is VEEHBRVUEHYHQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide?
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide is sourced from PubChem (CID 11499935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).