2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C23H26N2O4 — CID 119108662

IUPAC2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C23H26N2O4/c1-14(2)21(27)24-18-9-8-15(3)19(10-18)25-20(26)13-23(22(28)29)11-16-6-4-5-7-17(16)12-23/h4-10,14H,11-13H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyWUFCQEMCXKIXTF-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.79
Rot. Bonds6

About 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108662) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108662
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C23H26N2O4/c1-14(2)21(27)24-18-9-8-15(3)19(10-18)25-20(26)13-23(22(28)29)11-16-6-4-5-7-17(16)12-23/h4-10,14H,11-13H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyWUFCQEMCXKIXTF-UHFFFAOYSA-N
XLogP3.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108593
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
2-[2-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119163760
2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108624
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108662) is 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WUFCQEMCXKIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)21(27)24-18-9-8-15(3)19(10-18)25-20(26)13-23(22(28)29)11-16-6-4-5-7-17(16)12-23/h4-10,14H,11-13H2,1-3H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).