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

C20H21NO3 — CID 10639649

IUPAC1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NCCO)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-15(23)18-14-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)24-19(18)21-12-13-22/h2-11,21-22H,12-14H2,1H3
InChIKeyRHTLYKJTYQAQSP-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.73
Rot. Bonds6

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

1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (PubChem CID 10639649) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
PubChem CID10639649
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NCCO)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-15(23)18-14-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)24-19(18)21-12-13-22/h2-11,21-22H,12-14H2,1H3
InChIKeyRHTLYKJTYQAQSP-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579287
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
Methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
CID 157437167
3-(2-ethoxyethylamino)-9-phenyl-1H-2-benzoxepin-5-one
CID 164540046
1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10520804
2-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]ethyl 3-oxobutanoate
CID 10692771
N-(2-hydroxyethyl)-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10711051
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-diphenyl-3H-furan-4-yl]ethanone
CID 10759251

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (CID 10639649) is 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(NCCO)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The InChIKey is RHTLYKJTYQAQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15(23)18-14-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)24-19(18)21-12-13-22/h2-11,21-22H,12-14H2,1H3.
What are the key properties of 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone has a molecular weight of 323.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10639649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).