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

C25H25NO4 — CID 3898001

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(OC)c1
InChIInChI=1S/C25H25NO4/c1-28-21-12-13-23(24(15-21)29-2)26-25(27)19-8-6-17(7-9-19)16-30-22-11-10-18-4-3-5-20(18)14-22/h6-15H,3-5,16H2,1-2H3,(H,26,27)
InChIKeyKLECJEWCFXBDKD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.02
Rot. Bonds7

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

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 3898001) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID3898001
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(OC)c1
InChIInChI=1S/C25H25NO4/c1-28-21-12-13-23(24(15-21)29-2)26-25(27)19-8-6-17(7-9-19)16-30-22-11-10-18-4-3-5-20(18)14-22/h6-15H,3-5,16H2,1-2H3,(H,26,27)
InChIKeyKLECJEWCFXBDKD-UHFFFAOYSA-N
XLogP5.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide (CID 3898001) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is KLECJEWCFXBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-21-12-13-23(24(15-21)29-2)26-25(27)19-8-6-17(7-9-19)16-30-22-11-10-18-4-3-5-20(18)14-22/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-dimethoxyphenyl)benzamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 3898001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).