[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate

C20H22N2O5 — CID 7862075

IUPAC[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H22N2O5/c1-13-5-4-6-17(14(13)2)22-18(23)11-21-19(24)12-27-20(25)15-7-9-16(26-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYZMOJYKHMZRRMQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.22
Rot. Bonds7

About [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 7862075) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID7862075
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H22N2O5/c1-13-5-4-6-17(14(13)2)22-18(23)11-21-19(24)12-27-20(25)15-7-9-16(26-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYZMOJYKHMZRRMQ-UHFFFAOYSA-N
XLogP2.22
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate with MolForge

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Related Compounds

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558697
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 7985319
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 28561396
[2-(2,3-dimethylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 724451
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 2406119
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23915587
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146879
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824750
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382611

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate (CID 7862075) is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is YZMOJYKHMZRRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-5-4-6-17(14(13)2)22-18(23)11-21-19(24)12-27-20(25)15-7-9-16(26-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate?
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 7862075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).