2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid

C21H23NO3 — CID 119108628

IUPAC2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cc(C)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C21H23NO3/c1-13-8-14(2)19(15(3)9-13)22-18(23)12-21(20(24)25)10-16-6-4-5-7-17(16)11-21/h4-9H,10-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyYWRXVBDVDIDSLE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds4

About 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108628) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108628
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cc(C)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C21H23NO3/c1-13-8-14(2)19(15(3)9-13)22-18(23)12-21(20(24)25)10-16-6-4-5-7-17(16)11-21/h4-9H,10-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyYWRXVBDVDIDSLE-UHFFFAOYSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108593
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108646
2-[2-[3-[[(S)-methylsulfinyl]methyl]anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 99774176
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108685
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90581299
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 6937620
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108628) is 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid is Cc1cc(C)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c(C)c1.
What is the InChIKey of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YWRXVBDVDIDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13-8-14(2)19(15(3)9-13)22-18(23)12-21(20(24)25)10-16-6-4-5-7-17(16)11-21/h4-9H,10-12H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).