[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

C19H28N2O5 — CID 8598708

IUPAC[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCCCNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O5/c1-5-10-20-17(22)11-21(4)18(23)12-26-19(24)13-25-16-8-6-15(7-9-16)14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyYPSQBNYSOJUZSV-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.72
Rot. Bonds10

About [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8598708) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID8598708
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCCCNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O5/c1-5-10-20-17(22)11-21(4)18(23)12-26-19(24)13-25-16-8-6-15(7-9-16)14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyYPSQBNYSOJUZSV-UHFFFAOYSA-N
XLogP1.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 9457877
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 30754679
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492467
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 55380147
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521220
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (CID 8598708) is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is CCCNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is YPSQBNYSOJUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-10-20-17(22)11-21(4)18(23)12-26-19(24)13-25-16-8-6-15(7-9-16)14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,20,22).
What are the key properties of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 364.44 g/mol, XLogP of 1.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).