[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate

C13H17NO3 — CID 24834441

IUPAC[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
SMILESCCCNC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-9-14-13(16)12(17-10(2)15)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,16)
InChIKeyFTNCNTTZLGKOGQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.82
Rot. Bonds5

About [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate

[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate (PubChem CID 24834441) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
PubChem CID24834441
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
SMILESCCCNC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-9-14-13(16)12(17-10(2)15)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,16)
InChIKeyFTNCNTTZLGKOGQ-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 70487174
sodium;[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl] acetate;(2S)-N-benzyl-2-hydroxy-2-phenylacetamide;hydroxide
CID 157480609
[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate
CID 14186661
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[2-oxo-1-phenyl-2-(2,2,5,5-tetramethoxyhexylamino)ethyl] acetate
CID 56630867
CID 6328799
CID 6328799
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
3,3-diphenyl-N-propylpropanamide
CID 4638647
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate?
The IUPAC name of [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate (CID 24834441) is [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate.
What is the SMILES notation for [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate?
The canonical SMILES for [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate is CCCNC(=O)C(OC(C)=O)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate?
The InChIKey is FTNCNTTZLGKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-9-14-13(16)12(17-10(2)15)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,16).
What are the key properties of [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate?
[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate has a molecular weight of 235.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-(propylamino)ethyl] acetate is sourced from PubChem (CID 24834441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).