diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate

C22H25NO6 — CID 7917451

IUPACdiethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2cc(C)ccc2C)cc(C(=O)OCC)c1
InChIInChI=1S/C22H25NO6/c1-5-27-21(25)16-10-17(22(26)28-6-2)12-18(11-16)29-13-20(24)23-19-9-14(3)7-8-15(19)4/h7-12H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyLNMDRGUWZIZMIW-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.67
Rot. Bonds8

About diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate

diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate (PubChem CID 7917451) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
PubChem CID7917451
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Namediethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2cc(C)ccc2C)cc(C(=O)OCC)c1
InChIInChI=1S/C22H25NO6/c1-5-27-21(25)16-10-17(22(26)28-6-2)12-18(11-16)29-13-20(24)23-19-9-14(3)7-8-15(19)4/h7-12H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyLNMDRGUWZIZMIW-UHFFFAOYSA-N
XLogP3.67
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678370
[2-(2,5-dimethylanilino)-2-oxoethyl] 3,5-diacetamidobenzoate
CID 46792519
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 100757931
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 41177576
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate (CID 7917451) is diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(OCC(=O)Nc2cc(C)ccc2C)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The InChIKey is LNMDRGUWZIZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-5-27-21(25)16-10-17(22(26)28-6-2)12-18(11-16)29-13-20(24)23-19-9-14(3)7-8-15(19)4/h7-12H,5-6,13H2,1-4H3,(H,23,24).
What are the key properties of diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate has a molecular weight of 399.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 7917451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).