2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid

C18H18N2O3 — CID 15317187

IUPAC2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid
SMILESCN1C(=O)C(CC(=O)O)(N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19-15-11-7-6-10-14(15)18(17(19)23,12-16(21)22)20(2)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQQSKNRVRDNTFMD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid

2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid (PubChem CID 15317187) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid
PubChem CID15317187
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid
SMILESCN1C(=O)C(CC(=O)O)(N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19-15-11-7-6-10-14(15)18(17(19)23,12-16(21)22)20(2)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQQSKNRVRDNTFMD-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 95563639
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 95545230
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849
methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
CID 95524846
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-acetyl-1,3-dimethylindol-2-one
CID 71513470

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid (CID 15317187) is 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid is CN1C(=O)C(CC(=O)O)(N(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid?
The InChIKey is QQSKNRVRDNTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-15-11-7-6-10-14(15)18(17(19)23,12-16(21)22)20(2)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid?
2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 15317187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).