methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate

C20H23NO6 — CID 7667527

IUPACmethyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
SMILESCCOc1ccc(NC(=O)COc2ccc(C(=O)OC)cc2)cc1OCC
InChIInChI=1S/C20H23NO6/c1-4-25-17-11-8-15(12-18(17)26-5-2)21-19(22)13-27-16-9-6-14(7-10-16)20(23)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyNNVOLXHHSRFZAQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds9

About methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate

methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 7667527) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
PubChem CID7667527
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
SMILESCCOc1ccc(NC(=O)COc2ccc(C(=O)OC)cc2)cc1OCC
InChIInChI=1S/C20H23NO6/c1-4-25-17-11-8-15(12-18(17)26-5-2)21-19(22)13-27-16-9-6-14(7-10-16)20(23)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyNNVOLXHHSRFZAQ-UHFFFAOYSA-N
XLogP3.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate (CID 7667527) is methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate is CCOc1ccc(NC(=O)COc2ccc(C(=O)OC)cc2)cc1OCC.
What is the InChIKey of methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is NNVOLXHHSRFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-25-17-11-8-15(12-18(17)26-5-2)21-19(22)13-27-16-9-6-14(7-10-16)20(23)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate?
methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 373.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7667527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).