2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid

C19H21NO5 — CID 120552915

IUPAC2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid
SMILESCOc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1OC(C)C
InChIInChI=1S/C19H21NO5/c1-12(2)25-17-11-14(8-9-16(17)24-3)20-18(21)10-13-6-4-5-7-15(13)19(22)23/h4-9,11-12H,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVTSOENHTAZBROK-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid

2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid (PubChem CID 120552915) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid
PubChem CID120552915
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid
SMILESCOc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1OC(C)C
InChIInChI=1S/C19H21NO5/c1-12(2)25-17-11-14(8-9-16(17)24-3)20-18(21)10-13-6-4-5-7-15(13)19(22)23/h4-9,11-12H,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVTSOENHTAZBROK-UHFFFAOYSA-N
XLogP3.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
CID 108941868
2-[2-[4-[di(propan-2-yl)carbamoyl]anilino]-2-oxoethyl]benzoic acid
CID 10022786
1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108075
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid (CID 120552915) is 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid is COc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1OC(C)C.
What is the InChIKey of 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid?
The InChIKey is VTSOENHTAZBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(2)25-17-11-14(8-9-16(17)24-3)20-18(21)10-13-6-4-5-7-15(13)19(22)23/h4-9,11-12H,10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid?
2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 120552915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).