4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide

C27H29NO3 — CID 169173043

IUPAC4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
SMILESCOc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C27H29NO3/c1-19-7-6-8-20(15-19)13-14-31-25-16-21(11-12-24(25)30-3)26(29)28-27(2)17-22-9-4-5-10-23(22)18-27/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,28,29)
InChIKeyAIGSPPXCFZRTDD-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.91
Rot. Bonds7

About 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide

4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide (PubChem CID 169173043) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
PubChem CID169173043
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
SMILESCOc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C27H29NO3/c1-19-7-6-8-20(15-19)13-14-31-25-16-21(11-12-24(25)30-3)26(29)28-27(2)17-22-9-4-5-10-23(22)18-27/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,28,29)
InChIKeyAIGSPPXCFZRTDD-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide 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

5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
4,7-difluoro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076632
ethyl 5-bromo-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 67076689
methyl 2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylate
CID 129147431
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
methyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylidenecyclohexane-1-carboxylate
CID 67170182
2-[[4-methoxycarbonyl-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 142764641
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944
2-[[4-(1-hydroxyethyl)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076562
ethyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 67168969
methyl 4-hydroxy-1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]cycloheptane-1-carboxylate
CID 67170000
[2-[[3-[2-(3-methylphenyl)ethoxy]-4-methylsulfanylbenzoyl]amino]-1,3-dihydroinden-2-yl] hydrogen carbonate
CID 129111090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide (CID 169173043) is 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide is COc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1OCCc1cccc(C)c1.
What is the InChIKey of 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide?
The InChIKey is AIGSPPXCFZRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3/c1-19-7-6-8-20(15-19)13-14-31-25-16-21(11-12-24(25)30-3)26(29)28-27(2)17-22-9-4-5-10-23(22)18-27/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,28,29).
What are the key properties of 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide?
4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide has a molecular weight of 415.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide is sourced from PubChem (CID 169173043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).