2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C27H33NO5 — CID 67076784

IUPAC2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCC1CCCC(C)C1
InChIInChI=1S/C27H33NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyNOXPWMABZZLETI-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.64
Rot. Bonds8

About 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 67076784) has the molecular formula C27H33NO5 and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID67076784
Molecular FormulaC27H33NO5
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCC1CCCC(C)C1
InChIInChI=1S/C27H33NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyNOXPWMABZZLETI-UHFFFAOYSA-N
XLogP4.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoic acid
CID 67076318
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076742
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076670
2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076698
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
(3S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]thiolane-3-carboxylic acid
CID 125147917
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 174782776

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 67076784) is 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCC1CCCC(C)C1.
What is the InChIKey of 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is NOXPWMABZZLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 451.56 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 67076784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).