1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid

C19H19NO4 — CID 120691732

IUPAC1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc(C)cc1CC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-12-7-8-17(24-2)13(9-12)10-18(21)20-11-15(19(22)23)14-5-3-4-6-16(14)20/h3-9,15H,10-11H2,1-2H3,(H,22,23)
InChIKeyVKURNLHZGHWXKJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.76
Rot. Bonds4

About 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691732) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691732
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc(C)cc1CC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-12-7-8-17(24-2)13(9-12)10-18(21)20-11-15(19(22)23)14-5-3-4-6-16(14)20/h3-9,15H,10-11H2,1-2H3,(H,22,23)
InChIKeyVKURNLHZGHWXKJ-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691372
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
(2R)-4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946882
1-[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691608
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609743
1-[2-(3-methylphenoxy)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120977558
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[3-(2-methylphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691335
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691732) is 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid is COc1ccc(C)cc1CC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is VKURNLHZGHWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-7-8-17(24-2)13(9-12)10-18(21)20-11-15(19(22)23)14-5-3-4-6-16(14)20/h3-9,15H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).