[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate

C17H24N2O4 — CID 8561648

IUPAC[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)NCC(N)=O)c(C(C)C)c1
InChIInChI=1S/C17H24N2O4/c1-10(2)12-5-6-13(14(7-12)11(3)4)17(22)23-9-16(21)19-8-15(18)20/h5-7,10-11H,8-9H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeySTPUEKGHCCRKTB-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds7

About [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate (PubChem CID 8561648) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
PubChem CID8561648
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)NCC(N)=O)c(C(C)C)c1
InChIInChI=1S/C17H24N2O4/c1-10(2)12-5-6-13(14(7-12)11(3)4)17(22)23-9-16(21)19-8-15(18)20/h5-7,10-11H,8-9H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeySTPUEKGHCCRKTB-UHFFFAOYSA-N
XLogP1.69
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
CID 8561645
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841258
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197908
[2-oxo-2-(prop-2-enylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531107
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2650749
2-[2-amino-2-[2,4-di(propan-2-yl)phenyl]ethoxy]acetamide
CID 61328573
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 40666503
[2-(2-methyl-5-propan-2-ylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 153408361
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate (CID 8561648) is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The canonical SMILES for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate is CC(C)c1ccc(C(=O)OCC(=O)NCC(N)=O)c(C(C)C)c1.
What is the InChIKey of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The InChIKey is STPUEKGHCCRKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10(2)12-5-6-13(14(7-12)11(3)4)17(22)23-9-16(21)19-8-15(18)20/h5-7,10-11H,8-9H2,1-4H3,(H2,18,20)(H,19,21).
What are the key properties of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate has a molecular weight of 320.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate is sourced from PubChem (CID 8561648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).