2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid

C16H15NO5 — CID 45418219

IUPAC2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c1-21-12-7-8-13(16(19)20)14(9-12)22-10-15(18)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAYWWVWLGPABQKD-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid

2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid (PubChem CID 45418219) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
PubChem CID45418219
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c1-21-12-7-8-13(16(19)20)14(9-12)22-10-15(18)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAYWWVWLGPABQKD-UHFFFAOYSA-N
XLogP2.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346
2-[2-(3-methoxyanilino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418378
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
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-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid?
The IUPAC name of 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid (CID 45418219) is 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid?
The InChIKey is AYWWVWLGPABQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-12-7-8-13(16(19)20)14(9-12)22-10-15(18)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid?
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid is sourced from PubChem (CID 45418219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).