4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid

C18H17NO7 — CID 45418346

IUPAC4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)c1ccc(NC(=O)COc2cc(OC)ccc2C(=O)O)cc1
InChIInChI=1S/C18H17NO7/c1-24-13-7-8-14(17(21)22)15(9-13)26-10-16(20)19-12-5-3-11(4-6-12)18(23)25-2/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZIWUYYOBGMKYKF-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.20
Rot. Bonds7

About 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid

4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid (PubChem CID 45418346) has the molecular formula C18H17NO7 and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
PubChem CID45418346
Molecular FormulaC18H17NO7
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)c1ccc(NC(=O)COc2cc(OC)ccc2C(=O)O)cc1
InChIInChI=1S/C18H17NO7/c1-24-13-7-8-14(17(21)22)15(9-13)26-10-16(20)19-12-5-3-11(4-6-12)18(23)25-2/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZIWUYYOBGMKYKF-UHFFFAOYSA-N
XLogP2.20
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
2-[2-(3-methoxyanilino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418378
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid (CID 45418346) is 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid is COC(=O)c1ccc(NC(=O)COc2cc(OC)ccc2C(=O)O)cc1.
What is the InChIKey of 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
The InChIKey is ZIWUYYOBGMKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO7/c1-24-13-7-8-14(17(21)22)15(9-13)26-10-16(20)19-12-5-3-11(4-6-12)18(23)25-2/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid?
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid has a molecular weight of 359.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 45418346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).