5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one

C28H27NO2 — CID 101375310

IUPAC5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CC3=C(CCN(Cc4ccccc4)C3=O)O2)cc1
InChIInChI=1S/C28H27NO2/c1-20-8-12-23(13-9-20)28(24-14-10-21(2)11-15-24)18-25-26(31-28)16-17-29(27(25)30)19-22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3
InChIKeyJDEAIPFTGJRUNR-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.65
Rot. Bonds4

About 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one

5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one (PubChem CID 101375310) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one
PubChem CID101375310
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CC3=C(CCN(Cc4ccccc4)C3=O)O2)cc1
InChIInChI=1S/C28H27NO2/c1-20-8-12-23(13-9-20)28(24-14-10-21(2)11-15-24)18-25-26(31-28)16-17-29(27(25)30)19-22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3
InChIKeyJDEAIPFTGJRUNR-UHFFFAOYSA-N
XLogP5.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

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CID 16090414
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CID 44391856
1-Benzyl-3-phenyl-4-phenylmethoxypyridin-2-one
CID 71469447
1-Benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one
CID 71469499
N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide
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[(1R)-1-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl]-phenylmethanone
CID 166442873
1'-(4'-fluoro-[1,1'-biphenyl]-4-carbonyl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
CID 121142387
5-benzyl-2,2-diphenyl-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one
CID 101375308
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CID 14592322
3-[2-[(Dimethylamino)methyl]phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 54456688
2-Benzyl-3-[(4-methylphenyl)methoxy]-3-phenylisoindol-1-one
CID 59824788
3-[(4-Methylphenyl)methoxy]-3-phenyl-2-propylisoindol-1-one
CID 59824818

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one (CID 101375310) is 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one is Cc1ccc(C2(c3ccc(C)cc3)CC3=C(CCN(Cc4ccccc4)C3=O)O2)cc1.
What is the InChIKey of 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one?
The InChIKey is JDEAIPFTGJRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-20-8-12-23(13-9-20)28(24-14-10-21(2)11-15-24)18-25-26(31-28)16-17-29(27(25)30)19-22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3.
What are the key properties of 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one?
5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one has a molecular weight of 409.53 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,2-bis(4-methylphenyl)-6,7-dihydro-3H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 101375310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).