2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid

C19H19NO4 — CID 175312070

IUPAC2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
SMILESCOc1cccc2c1C(C)(CC(=O)O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-19(11-16(21)22)17-14(9-6-10-15(17)24-2)20(18(19)23)12-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyJXRUZHFJRURUMW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.97
Rot. Bonds5

About 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid

2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid (PubChem CID 175312070) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
PubChem CID175312070
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
SMILESCOc1cccc2c1C(C)(CC(=O)O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-19(11-16(21)22)17-14(9-6-10-15(17)24-2)20(18(19)23)12-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyJXRUZHFJRURUMW-UHFFFAOYSA-N
XLogP2.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzyl-3,7-dimethyl-2-oxoindol-3-yl)acetic acid
CID 175312134
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
(3R)-3-amino-1-benzyl-4-bromo-3-methylindol-2-one
CID 57379288
2-[3-methyl-5-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]acetic acid
CID 70031173
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
(3S)-1-benzyl-4-bromo-3-hydroxy-3-phenacylindol-2-one
CID 72697843
2-[1-[(4-bromophenyl)methyl]-3-methyl-5-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2,4-dioxo-1,5-benzodiazepin-3-yl]acetic acid
CID 70030925
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 2290553
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
CID 102343309

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid (CID 175312070) is 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid is COc1cccc2c1C(C)(CC(=O)O)C(=O)N2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid?
The InChIKey is JXRUZHFJRURUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(11-16(21)22)17-14(9-6-10-15(17)24-2)20(18(19)23)12-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid?
2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid has a molecular weight of 325.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 175312070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).