2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid

C23H26N2O3 — CID 119109727

IUPAC2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCN1Cc2cccc(NC(=O)CC3(C(=O)O)Cc4ccccc4C3)c2C1
InChIInChI=1S/C23H26N2O3/c1-2-10-25-14-18-8-5-9-20(19(18)15-25)24-21(26)13-23(22(27)28)11-16-6-3-4-7-17(16)12-23/h3-9H,2,10-15H2,1H3,(H,24,26)(H,27,28)
InChIKeyOTQFBTXPPKIOER-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.61
Rot. Bonds6

About 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119109727) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119109727
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCN1Cc2cccc(NC(=O)CC3(C(=O)O)Cc4ccccc4C3)c2C1
InChIInChI=1S/C23H26N2O3/c1-2-10-25-14-18-8-5-9-20(19(18)15-25)24-21(26)13-23(22(27)28)11-16-6-3-4-7-17(16)12-23/h3-9H,2,10-15H2,1H3,(H,24,26)(H,27,28)
InChIKeyOTQFBTXPPKIOER-UHFFFAOYSA-N
XLogP3.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119109721
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108624
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310
2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137884
2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108640
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119109727) is 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid is CCCN1Cc2cccc(NC(=O)CC3(C(=O)O)Cc4ccccc4C3)c2C1.
What is the InChIKey of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OTQFBTXPPKIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-10-25-14-18-8-5-9-20(19(18)15-25)24-21(26)13-23(22(27)28)11-16-6-3-4-7-17(16)12-23/h3-9H,2,10-15H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119109727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).