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

C24H29NO2 — CID 10713767

IUPAC1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1
InChIInChI=1S/C24H29NO2/c1-16-7-11-19(12-8-16)24(20-13-9-17(2)10-14-20)15-21(18(3)26)22(27-24)25-23(4,5)6/h7-14,25H,15H2,1-6H3
InChIKeyOFWXNOPLQZJWHJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.16
Rot. Bonds4

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

1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone (PubChem CID 10713767) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
PubChem CID10713767
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1
InChIInChI=1S/C24H29NO2/c1-16-7-11-19(12-8-16)24(20-13-9-17(2)10-14-20)15-21(18(3)26)22(27-24)25-23(4,5)6/h7-14,25H,15H2,1-6H3
InChIKeyOFWXNOPLQZJWHJ-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
CID 10523252
[1-[4-(2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 91286317
[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 174704942
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-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 10713768
1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
CID 10739952
1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10759251
1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
CID 11833731
5-Amino-4-(4-methylphenyl)-2-phenylfuran-3-one
CID 13579280
1-[4-[4-[1-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]oxyethenyl]phenyl]phenyl]ethanone
CID 143668322

Frequently Asked Questions

What is the IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone (CID 10713767) is 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone is CC(=O)C1=C(NC(C)(C)C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1.
What is the InChIKey of 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The InChIKey is OFWXNOPLQZJWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-16-7-11-19(12-8-16)24(20-13-9-17(2)10-14-20)15-21(18(3)26)22(27-24)25-23(4,5)6/h7-14,25H,15H2,1-6H3.
What are the key properties of 1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone has a molecular weight of 363.50 g/mol, XLogP of 5.16, 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-bis(4-methylphenyl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).