[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C17H24N2O5 — CID 8806310

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H24N2O5/c1-11(2)14-6-5-13(7-12(14)3)23-10-17(22)24-9-16(21)19-8-15(20)18-4/h5-7,11H,8-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyIFAAQVXGXCAYJK-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.90
Rot. Bonds8

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 8806310) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID8806310
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H24N2O5/c1-11(2)14-6-5-13(7-12(14)3)23-10-17(22)24-9-16(21)19-8-15(20)18-4/h5-7,11H,8-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyIFAAQVXGXCAYJK-UHFFFAOYSA-N
XLogP0.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8951493
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806365
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24558114
methyl 2-[[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 46607100
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 27970560
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24526591
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 8806310) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is CNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is IFAAQVXGXCAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(2)14-6-5-13(7-12(14)3)23-10-17(22)24-9-16(21)19-8-15(20)18-4/h5-7,11H,8-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 336.39 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8806310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).