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

C25H28N4O4 — CID 54834424

IUPAC3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C25H28N4O4/c1-3-29(4-2)25(32)18-10-12-20(13-11-18)28-23(30)17-26-21-8-5-7-19(15-21)24(31)27-16-22-9-6-14-33-22/h5-15,26H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYYXDAYFUJQEIGL-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.74
Rot. Bonds10

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

3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834424) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834424
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C25H28N4O4/c1-3-29(4-2)25(32)18-10-12-20(13-11-18)28-23(30)17-26-21-8-5-7-19(15-21)24(31)27-16-22-9-6-14-33-22/h5-15,26H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYYXDAYFUJQEIGL-UHFFFAOYSA-N
XLogP3.74
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54843114
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834716
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
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834424) is 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is YYXDAYFUJQEIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-29(4-2)25(32)18-10-12-20(13-11-18)28-23(30)17-26-21-8-5-7-19(15-21)24(31)27-16-22-9-6-14-33-22/h5-15,26H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).