3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide

C21H22N2O4 — CID 24582188

IUPAC3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1
InChIInChI=1S/C21H22N2O4/c1-12-7-8-17(20-16(24)9-13(2)19(12)20)27-11-18(25)23-15-6-4-5-14(10-15)21(26)22-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUVPNFTUSOJSBOR-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.06
Rot. Bonds5

About 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide

3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide (PubChem CID 24582188) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
PubChem CID24582188
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1
InChIInChI=1S/C21H22N2O4/c1-12-7-8-17(20-16(24)9-13(2)19(12)20)27-11-18(25)23-15-6-4-5-14(10-15)21(26)22-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUVPNFTUSOJSBOR-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide (CID 24582188) is 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1.
What is the InChIKey of 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide?
The InChIKey is UVPNFTUSOJSBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-7-8-17(20-16(24)9-13(2)19(12)20)27-11-18(25)23-15-6-4-5-14(10-15)21(26)22-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide?
3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24582188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).