5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C22H23NO4 — CID 25159361

IUPAC5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
InChIInChI=1S/C22H23NO4/c1-27-17-10-9-15-12-22(21(25)26,13-16(15)11-17)23-20(24)19-8-4-6-14-5-2-3-7-18(14)19/h4,6,8-11H,2-3,5,7,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZEZCZUQIVHQJHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.93
Rot. Bonds4

About 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159361) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159361
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
InChIInChI=1S/C22H23NO4/c1-27-17-10-9-15-12-22(21(25)26,13-16(15)11-17)23-20(24)19-8-4-6-14-5-2-3-7-18(14)19/h4,6,8-11H,2-3,5,7,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZEZCZUQIVHQJHW-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 25159361) is 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is COc1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2.
What is the InChIKey of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is ZEZCZUQIVHQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-27-17-10-9-15-12-22(21(25)26,13-16(15)11-17)23-20(24)19-8-4-6-14-5-2-3-7-18(14)19/h4,6,8-11H,2-3,5,7,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).