(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide

C12H17NO3 — CID 95356922

IUPAC(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide
SMILESCON(C)C(=O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(14)13(2)15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyNQGOBERRXLHGSX-JTQLQIEISA-N
MW223.27 g/mol
LogP1.61
Rot. Bonds5

About (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide

(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide (PubChem CID 95356922) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide
PubChem CID95356922
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide
SMILESCON(C)C(=O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(14)13(2)15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyNQGOBERRXLHGSX-JTQLQIEISA-N
XLogP1.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide?
The IUPAC name of (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide (CID 95356922) is (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide?
The canonical SMILES for (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide is CON(C)C(=O)[C@H](C)OCc1ccccc1.
What is the InChIKey of (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide?
The InChIKey is NQGOBERRXLHGSX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(12(14)13(2)15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide?
(2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N-methyl-2-phenylmethoxypropanamide is sourced from PubChem (CID 95356922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).