[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate

C15H20N2O4 — CID 8610278

IUPAC[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCCCNC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-8-16-14(19)10-21-15(20)9-12-4-6-13(7-5-12)17-11(2)18/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDIWOYPHTMQGAOK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.26
Rot. Bonds7

About [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate

[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8610278) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8610278
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCCCNC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-8-16-14(19)10-21-15(20)9-12-4-6-13(7-5-12)17-11(2)18/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDIWOYPHTMQGAOK-UHFFFAOYSA-N
XLogP1.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate (CID 8610278) is [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate is CCCNC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is DIWOYPHTMQGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-8-16-14(19)10-21-15(20)9-12-4-6-13(7-5-12)17-11(2)18/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate?
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 292.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).