2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C21H23NO4 — CID 25160407

IUPAC2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC(C)C
InChIInChI=1S/C21H23NO4/c1-13(2)26-18-14(3)7-6-10-17(18)19(23)22-21(20(24)25)11-15-8-4-5-9-16(15)12-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyFDPUDIAMESRREB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds5

About 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160407) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160407
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC(C)C
InChIInChI=1S/C21H23NO4/c1-13(2)26-18-14(3)7-6-10-17(18)19(23)22-21(20(24)25)11-15-8-4-5-9-16(15)12-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyFDPUDIAMESRREB-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160407) is 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC(C)C.
What is the InChIKey of 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FDPUDIAMESRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)26-18-14(3)7-6-10-17(18)19(23)22-21(20(24)25)11-15-8-4-5-9-16(15)12-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).