methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate

C18H19NO4 — CID 35986892

IUPACmethyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H19NO4/c1-12-6-4-9-16(13(12)2)19-17(20)11-23-15-8-5-7-14(10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyLBBJLJDFJPPKJM-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.11
Rot. Bonds5

About methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate

methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate (PubChem CID 35986892) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
PubChem CID35986892
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H19NO4/c1-12-6-4-9-16(13(12)2)19-17(20)11-23-15-8-5-7-14(10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyLBBJLJDFJPPKJM-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
[2-(2,3-dimethylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 724451
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 7985319
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate (CID 35986892) is methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate is COC(=O)c1cccc(OCC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate?
The InChIKey is LBBJLJDFJPPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-6-4-9-16(13(12)2)19-17(20)11-23-15-8-5-7-14(10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate?
methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 35986892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).