[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate

C15H20N2O4 — CID 9018198

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-8-16-13(18)9-17-14(19)10-21-15(20)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYPXMBGHWIORFA-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.79
Rot. Bonds7

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate (PubChem CID 9018198) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
PubChem CID9018198
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-8-16-13(18)9-17-14(19)10-21-15(20)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYPXMBGHWIORFA-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-formylbenzoate
CID 9019738
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289524
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842622
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-(butylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2645186
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] anthracene-9-carboxylate
CID 9231199
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate (CID 9018198) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate is CCCNC(=O)CNC(=O)COC(=O)c1ccc(C)cc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate?
The InChIKey is PYPXMBGHWIORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-8-16-13(18)9-17-14(19)10-21-15(20)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate is sourced from PubChem (CID 9018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).