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

C22H25NO2 — CID 10520804

IUPAC1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C22H25NO2/c1-3-4-15-23-21-20(17(2)24)16-22(25-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,23H,3-4,15-16H2,1-2H3
InChIKeyKYWZNYKELDBQHY-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.54
Rot. Bonds7

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

1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (PubChem CID 10520804) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
PubChem CID10520804
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
SMILESCCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C22H25NO2/c1-3-4-15-23-21-20(17(2)24)16-22(25-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,23H,3-4,15-16H2,1-2H3
InChIKeyKYWZNYKELDBQHY-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(+)-tersone E
CID 71556150
(-)-tersone E
CID 146683005
5-(Ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579287
5-(Methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one
CID 22001207
4-(3-Fluorophenyl)-5-(methylamino)-2-phenylfuran-3-one
CID 59073346
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
4-(3-Iodophenyl)-5-(methylamino)-2-phenylfuran-3-one
CID 20247516
5-(Cyclopropylamino)-2-phenyl-4-(2-propylphenyl)furan-3-one
CID 20247797
5-(Cyclopropylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
CID 20247811
Methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
CID 157437167

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone (CID 10520804) is 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is CCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
The InChIKey is KYWZNYKELDBQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-4-15-23-21-20(17(2)24)16-22(25-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,23H,3-4,15-16H2,1-2H3.
What are the key properties of 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone?
1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10520804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).