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

C22H25NO2 — CID 10759251

IUPAC1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-16(24)19-15-22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-20(19)23-21(2,3)4/h5-14,23H,15H2,1-4H3
InChIKeyNWHLSJBCQAJLCY-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.54
Rot. Bonds4

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

1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (PubChem CID 10759251) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
PubChem CID10759251
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-16(24)19-15-22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-20(19)23-21(2,3)4/h5-14,23H,15H2,1-4H3
InChIKeyNWHLSJBCQAJLCY-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanone, 1-(4,5-dihydro-2-methyl-5,5-diphenyl-3-furanyl)-
CID 11403189
1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
CID 10523252
5-(Methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
CID 13579354
5-(Methylamino)-2-phenyl-4-(2-propylphenyl)furan-3-one
CID 20247467
5-Amino-2-phenyl-4-(3-propylphenyl)furan-3-one
CID 20247504
Methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
CID 157437167
1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10520804
1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10639649
N-tert-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10664528
1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
CID 10713767
1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10737836
1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
CID 10739952

Frequently Asked Questions

What is the IUPAC name of 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (CID 10759251) is 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(NC(C)(C)C)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The InChIKey is NWHLSJBCQAJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16(24)19-15-22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-20(19)23-21(2,3)4/h5-14,23H,15H2,1-4H3.
What are the key properties of 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).