4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide

C19H19NO3 — CID 42927573

IUPAC4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide
SMILESCc1ccc(OCc2ccc(C(N)=O)cc2)c2c1C(C)CC2=O
InChIInChI=1S/C19H19NO3/c1-11-3-8-16(18-15(21)9-12(2)17(11)18)23-10-13-4-6-14(7-5-13)19(20)22/h3-8,12H,9-10H2,1-2H3,(H2,20,22)
InChIKeyPJESWULMIJUGOP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.36
Rot. Bonds4

About 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide

4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide (PubChem CID 42927573) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide.

Molecular Properties

Compound Name4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide
PubChem CID42927573
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide
SMILESCc1ccc(OCc2ccc(C(N)=O)cc2)c2c1C(C)CC2=O
InChIInChI=1S/C19H19NO3/c1-11-3-8-16(18-15(21)9-12(2)17(11)18)23-10-13-4-6-14(7-5-13)19(20)22/h3-8,12H,9-10H2,1-2H3,(H2,20,22)
InChIKeyPJESWULMIJUGOP-UHFFFAOYSA-N
XLogP3.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide?
The IUPAC name of 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide (CID 42927573) is 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide.
What is the SMILES notation for 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide?
The canonical SMILES for 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide is Cc1ccc(OCc2ccc(C(N)=O)cc2)c2c1C(C)CC2=O.
What is the InChIKey of 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide?
The InChIKey is PJESWULMIJUGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-3-8-16(18-15(21)9-12(2)17(11)18)23-10-13-4-6-14(7-5-13)19(20)22/h3-8,12H,9-10H2,1-2H3,(H2,20,22).
What are the key properties of 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide?
4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxymethyl]benzamide is sourced from PubChem (CID 42927573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).