3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C24H26N4O4 — CID 54833526

IUPAC3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C24H26N4O4/c1-16(2)27-24(31)18-7-3-8-19(12-18)25-15-22(29)28-20-9-4-6-17(13-20)23(30)26-14-21-10-5-11-32-21/h3-13,16,25H,14-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeySGNVKQQGPATBAY-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.40
Rot. Bonds9

About 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833526) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833526
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C24H26N4O4/c1-16(2)27-24(31)18-7-3-8-19(12-18)25-15-22(29)28-20-9-4-6-17(13-20)23(30)26-14-21-10-5-11-32-21/h3-13,16,25H,14-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeySGNVKQQGPATBAY-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
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
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834609

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54833526) is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is SGNVKQQGPATBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16(2)27-24(31)18-7-3-8-19(12-18)25-15-22(29)28-20-9-4-6-17(13-20)23(30)26-14-21-10-5-11-32-21/h3-13,16,25H,14-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 434.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).