(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide

C12H17NO3 — CID 2162450

IUPAC(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
SMILESCOCCNC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(14)13-8-9-15-2)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXOUYAXTXWOMUPW-JTQLQIEISA-N
MW223.27 g/mol
LogP1.22
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide

(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide (PubChem CID 2162450) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
PubChem CID2162450
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
SMILESCOCCNC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(14)13-8-9-15-2)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXOUYAXTXWOMUPW-JTQLQIEISA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide (CID 2162450) is (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide is COCCNC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide?
The InChIKey is XOUYAXTXWOMUPW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(12(14)13-8-9-15-2)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide?
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-phenoxypropanamide is sourced from PubChem (CID 2162450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).