4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C22H22N4O4 — CID 54831561

IUPAC4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H22N4O4/c1-15(27)25-19-5-2-4-18(12-19)23-14-21(28)26-17-9-7-16(8-10-17)22(29)24-13-20-6-3-11-30-20/h2-12,23H,13-14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFWGOWELIDRXYJN-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.22
Rot. Bonds8

About 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54831561) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54831561
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H22N4O4/c1-15(27)25-19-5-2-4-18(12-19)23-14-21(28)26-17-9-7-16(8-10-17)22(29)24-13-20-6-3-11-30-20/h2-12,23H,13-14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFWGOWELIDRXYJN-UHFFFAOYSA-N
XLogP3.22
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
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
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
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-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54831561) is 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is FWGOWELIDRXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15(27)25-19-5-2-4-18(12-19)23-14-21(28)26-17-9-7-16(8-10-17)22(29)24-13-20-6-3-11-30-20/h2-12,23H,13-14H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54831561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).