(2S)-2-acetamido-N-benzyl-3-methoxypropanamide

C13H18N2O3 — CID 10634426

IUPAC(2S)-2-acetamido-N-benzyl-3-methoxypropanamide
SMILESCOC[C@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
InChIKeyVPPJLAIAVCUEMN-LBPRGKRZSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds6

About (2S)-2-acetamido-N-benzyl-3-methoxypropanamide

(2S)-2-acetamido-N-benzyl-3-methoxypropanamide (PubChem CID 10634426) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-acetamido-N-benzyl-3-methoxypropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-benzyl-3-methoxypropanamide
PubChem CID10634426
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-2-acetamido-N-benzyl-3-methoxypropanamide
SMILESCOC[C@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
InChIKeyVPPJLAIAVCUEMN-LBPRGKRZSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-benzyl-3-methoxypropanamide?
The IUPAC name of (2S)-2-acetamido-N-benzyl-3-methoxypropanamide (CID 10634426) is (2S)-2-acetamido-N-benzyl-3-methoxypropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-benzyl-3-methoxypropanamide?
The canonical SMILES for (2S)-2-acetamido-N-benzyl-3-methoxypropanamide is COC[C@H](NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-acetamido-N-benzyl-3-methoxypropanamide?
The InChIKey is VPPJLAIAVCUEMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-benzyl-3-methoxypropanamide?
(2S)-2-acetamido-N-benzyl-3-methoxypropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-benzyl-3-methoxypropanamide is sourced from PubChem (CID 10634426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).