1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone

C25H23NO2 — CID 10737836

IUPAC1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NCc2ccccc2)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C25H23NO2/c1-19(27)23-17-25(21-13-7-3-8-14-21,22-15-9-4-10-16-22)28-24(23)26-18-20-11-5-2-6-12-20/h2-16,26H,17-18H2,1H3
InChIKeyMOZYYCWDEYYVJD-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.94
Rot. Bonds6

About 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone

1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (PubChem CID 10737836) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
PubChem CID10737836
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NCc2ccccc2)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C25H23NO2/c1-19(27)23-17-25(21-13-7-3-8-14-21,22-15-9-4-10-16-22)28-24(23)26-18-20-11-5-2-6-12-20/h2-16,26H,17-18H2,1H3
InChIKeyMOZYYCWDEYYVJD-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 71085666
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 71085829
3-[4-[(Benzylamino)methoxymethyl]phenyl]-5,5-dimethylcyclohex-2-en-1-one;molecular hydrogen
CID 142400943
2-(4,5-Diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane
CID 169103904
8-(4,5-Diphenyl-2,3-dihydro-1,3-oxazol-2-yl)octan-4-one;ethane;methane;molecular hydrogen
CID 169105872
Ethanone, 1-(3,4-dihydro-6-methyl-2,4-diphenyl-2H-1,3-oxazin-5-yl)-
CID 10469644
1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10520804
N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
CID 10528046
1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10639649
N-benzyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10642847
1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10759251
7-benzyl-2,2-diphenyl-5,6-dihydro-3H-furo[2,3-b]pyridin-4-one
CID 101375312

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (CID 10737836) is 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(NCc2ccccc2)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The InChIKey is MOZYYCWDEYYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19(27)23-17-25(21-13-7-3-8-14-21,22-15-9-4-10-16-22)28-24(23)26-18-20-11-5-2-6-12-20/h2-16,26H,17-18H2,1H3.
What are the key properties of 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone has a molecular weight of 369.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10737836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).