N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide

C25H28N4O4 — CID 54842839

IUPACN-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C25H28N4O4/c1-25(2,3)29-24(32)18-6-4-7-20(14-18)28-22(30)16-26-19-11-9-17(10-12-19)23(31)27-15-21-8-5-13-33-21/h4-14,26H,15-16H2,1-3H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyPYCJVEUKNMACOL-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.79
Rot. Bonds8

About N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54842839) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54842839
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C25H28N4O4/c1-25(2,3)29-24(32)18-6-4-7-20(14-18)28-22(30)16-26-19-11-9-17(10-12-19)23(31)27-15-21-8-5-13-33-21/h4-14,26H,15-16H2,1-3H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyPYCJVEUKNMACOL-UHFFFAOYSA-N
XLogP3.79
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide with MolForge

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Related Compounds

3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54843237
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
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-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54843114
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
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54842839) is N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is PYCJVEUKNMACOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-25(2,3)29-24(32)18-6-4-7-20(14-18)28-22(30)16-26-19-11-9-17(10-12-19)23(31)27-15-21-8-5-13-33-21/h4-14,26H,15-16H2,1-3H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54842839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).