[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate

C20H21NO6 — CID 7811220

IUPAC[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO6/c1-3-12-26-19(23)14-8-10-15(11-9-14)21-18(22)13-27-20(24)16-6-4-5-7-17(16)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyJBEHYAWLCBRZEI-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.06
Rot. Bonds8

About [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate

[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate (PubChem CID 7811220) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
PubChem CID7811220
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO6/c1-3-12-26-19(23)14-8-10-15(11-9-14)21-18(22)13-27-20(24)16-6-4-5-7-17(16)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyJBEHYAWLCBRZEI-UHFFFAOYSA-N
XLogP3.06
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
octyl 4-[[3-(2-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
CID 4550624
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3400030
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate (CID 7811220) is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate is CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1.
What is the InChIKey of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate?
The InChIKey is JBEHYAWLCBRZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-12-26-19(23)14-8-10-15(11-9-14)21-18(22)13-27-20(24)16-6-4-5-7-17(16)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate?
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate is sourced from PubChem (CID 7811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).