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

C22H22N4O4 — CID 54839990

IUPAC3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C22H22N4O4/c1-23-21(28)15-5-2-7-17(11-15)24-14-20(27)26-18-8-3-6-16(12-18)22(29)25-13-19-9-4-10-30-19/h2-12,24H,13-14H2,1H3,(H,23,28)(H,25,29)(H,26,27)
InChIKeyXHZXKGUTRJBCTC-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.62
Rot. Bonds8

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

3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54839990) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54839990
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C22H22N4O4/c1-23-21(28)15-5-2-7-17(11-15)24-14-20(27)26-18-8-3-6-16(12-18)22(29)25-13-19-9-4-10-30-19/h2-12,24H,13-14H2,1H3,(H,23,28)(H,25,29)(H,26,27)
InChIKeyXHZXKGUTRJBCTC-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
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
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
3-[[2-(3-chloro-4-methoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54819349

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (CID 54839990) is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide is CNC(=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-methylbenzamide?
The InChIKey is XHZXKGUTRJBCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-23-21(28)15-5-2-7-17(11-15)24-14-20(27)26-18-8-3-6-16(12-18)22(29)25-13-19-9-4-10-30-19/h2-12,24H,13-14H2,1H3,(H,23,28)(H,25,29)(H,26,27).
What are the key properties of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 2.62, 8 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-methylbenzamide is sourced from PubChem (CID 54839990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).