2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C23H24N2O4 — CID 119108665

IUPAC2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C23H24N2O4/c1-14-6-9-18(24-21(27)15-7-8-15)10-19(14)25-20(26)13-23(22(28)29)11-16-4-2-3-5-17(16)12-23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyAVLRQOFORKIAQU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.54
Rot. Bonds6

About 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108665) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108665
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C23H24N2O4/c1-14-6-9-18(24-21(27)15-7-8-15)10-19(14)25-20(26)13-23(22(28)29)11-16-4-2-3-5-17(16)12-23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyAVLRQOFORKIAQU-UHFFFAOYSA-N
XLogP3.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108646
2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108662
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46478274
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
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
N-[4-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 87001216

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108665) is 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is AVLRQOFORKIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-6-9-18(24-21(27)15-7-8-15)10-19(14)25-20(26)13-23(22(28)29)11-16-4-2-3-5-17(16)12-23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).