[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

C16H23NO4 — CID 8954401

IUPAC[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESCOCCNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-12(14(18)17-10-11-20-4)21-15(19)16(2,3)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyJITMNGUYPKYWBY-GFCCVEGCSA-N
MW293.36 g/mol
LogP1.66
Rot. Bonds7

About [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (PubChem CID 8954401) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
PubChem CID8954401
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESCOCCNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-12(14(18)17-10-11-20-4)21-15(19)16(2,3)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyJITMNGUYPKYWBY-GFCCVEGCSA-N
XLogP1.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954507
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954590
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 7984671
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954499
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 7984717
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (CID 8954401) is [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is COCCNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The InChIKey is JITMNGUYPKYWBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(14(18)17-10-11-20-4)21-15(19)16(2,3)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8954401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).