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

C24H26N4O4 — CID 54834580

IUPAC3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-2-5-22(29)27-18-9-11-19(12-10-18)28-23(30)16-25-20-7-3-6-17(14-20)24(31)26-15-21-8-4-13-32-21/h3-4,6-14,25H,2,5,15-16H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyNZSMQXYOMAFDLD-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.00
Rot. Bonds10

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

3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834580) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834580
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-2-5-22(29)27-18-9-11-19(12-10-18)28-23(30)16-25-20-7-3-6-17(14-20)24(31)26-15-21-8-4-13-32-21/h3-4,6-14,25H,2,5,15-16H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyNZSMQXYOMAFDLD-UHFFFAOYSA-N
XLogP4.00
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.00
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
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834580) is 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is CCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is NZSMQXYOMAFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-5-22(29)27-18-9-11-19(12-10-18)28-23(30)16-25-20-7-3-6-17(14-20)24(31)26-15-21-8-4-13-32-21/h3-4,6-14,25H,2,5,15-16H2,1H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 434.50 g/mol, XLogP of 4.00, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).