5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one

C20H19NO2 — CID 71625989

IUPAC5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one
SMILESC=C1OC(=O)C(c2ccc(C)cc2)=C1NCc1ccc(C)cc1
InChIInChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)12-21-19-15(3)23-20(22)18(19)17-10-6-14(2)7-11-17/h4-11,21H,3,12H2,1-2H3
InChIKeyDJNZPTXDJRRMJM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.87
Rot. Bonds4

About 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one

5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one (PubChem CID 71625989) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one.

Molecular Properties

Compound Name5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one
PubChem CID71625989
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one
SMILESC=C1OC(=O)C(c2ccc(C)cc2)=C1NCc1ccc(C)cc1
InChIInChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)12-21-19-15(3)23-20(22)18(19)17-10-6-14(2)7-11-17/h4-11,21H,3,12H2,1-2H3
InChIKeyDJNZPTXDJRRMJM-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 684171
4-[(1-Phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 2851262
3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one
CID 56676875
4-(2,2-Difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977290
4-(Methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977291
4-methyl-N-[(5-methylidene-2-oxo-4-phenylfuran-3-yl)methyl]benzamide
CID 172443204
4-methyl-N-[[5-methylidene-2-oxo-4-(4-phenylphenyl)furan-3-yl]methyl]benzamide
CID 172469681
2-(2'-Ethoxyethyl)-4,5-diphenyl-2,3-dihydro-1,3-oxazin-6-one
CID 129858448
4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
CID 10830459
Tert-butyl 2-[(4-ethyl-2-fluorophenyl)methylamino]-2-phenylacetate
CID 71192085
methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-2-phenylacetate
CID 11098844
Dimethyl 2,5-diphenyl-1,2-dihydropyrrole-3,5-dicarboxylate
CID 13972403

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one?
The IUPAC name of 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one (CID 71625989) is 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one.
What is the SMILES notation for 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one?
The canonical SMILES for 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one is C=C1OC(=O)C(c2ccc(C)cc2)=C1NCc1ccc(C)cc1.
What is the InChIKey of 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one?
The InChIKey is DJNZPTXDJRRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)12-21-19-15(3)23-20(22)18(19)17-10-6-14(2)7-11-17/h4-11,21H,3,12H2,1-2H3.
What are the key properties of 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one?
5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one is sourced from PubChem (CID 71625989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).