4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid

C18H17NO6 — CID 99989606

IUPAC4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H17NO6/c1-2-24-18(23)13-3-7-14(8-4-13)19-16(20)11-25-15-9-5-12(6-10-15)17(21)22/h3-10H,2,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyFDVYJURTKFUNKS-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.58
Rot. Bonds7

About 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid

4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid (PubChem CID 99989606) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
PubChem CID99989606
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H17NO6/c1-2-24-18(23)13-3-7-14(8-4-13)19-16(20)11-25-15-9-5-12(6-10-15)17(21)22/h3-10H,2,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyFDVYJURTKFUNKS-UHFFFAOYSA-N
XLogP2.58
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45375322
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
CID 15008323

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid (CID 99989606) is 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid is CCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The InChIKey is FDVYJURTKFUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-2-24-18(23)13-3-7-14(8-4-13)19-16(20)11-25-15-9-5-12(6-10-15)17(21)22/h3-10H,2,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid has a molecular weight of 343.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 99989606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).