4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide

C25H25NO2 — CID 994631

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1
InChIInChI=1S/C25H25NO2/c1-17-6-13-24(18(2)14-17)26-25(27)21-9-7-19(8-10-21)16-28-23-12-11-20-4-3-5-22(20)15-23/h6-15H,3-5,16H2,1-2H3,(H,26,27)
InChIKeyBOECLDZJFMOTNI-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.62
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 994631) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide
PubChem CID994631
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1
InChIInChI=1S/C25H25NO2/c1-17-6-13-24(18(2)14-17)26-25(27)21-9-7-19(8-10-21)16-28-23-12-11-20-4-3-5-22(20)15-23/h6-15H,3-5,16H2,1-2H3,(H,26,27)
InChIKeyBOECLDZJFMOTNI-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide (CID 994631) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is BOECLDZJFMOTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17-6-13-24(18(2)14-17)26-25(27)21-9-7-19(8-10-21)16-28-23-12-11-20-4-3-5-22(20)15-23/h6-15H,3-5,16H2,1-2H3,(H,26,27).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 371.48 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 994631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).