N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

C24H26N4O4 — CID 54834584

IUPACN-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)ccc1C
InChIInChI=1S/C24H26N4O4/c1-3-22(29)28-21-13-19(10-9-16(21)2)27-23(30)15-25-18-7-4-6-17(12-18)24(31)26-14-20-8-5-11-32-20/h4-13,25H,3,14-15H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyPAUHEGAVHJHAIM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.92
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834584) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834584
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)ccc1C
InChIInChI=1S/C24H26N4O4/c1-3-22(29)28-21-13-19(10-9-16(21)2)27-23(30)15-25-18-7-4-6-17(12-18)24(31)26-14-20-8-5-11-32-20/h4-13,25H,3,14-15H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyPAUHEGAVHJHAIM-UHFFFAOYSA-N
XLogP3.92
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54834584) is N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)ccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is PAUHEGAVHJHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-22(29)28-21-13-19(10-9-16(21)2)27-23(30)15-25-18-7-4-6-17(12-18)24(31)26-14-20-8-5-11-32-20/h4-13,25H,3,14-15H2,1-2H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 434.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).