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

C22H23N3O4 — CID 54826254

IUPAC3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C22H23N3O4/c1-2-28-19-9-4-7-17(13-19)23-15-21(26)25-18-8-3-6-16(12-18)22(27)24-14-20-10-5-11-29-20/h3-13,23H,2,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBCBHDEXWKOQICB-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.66
Rot. Bonds9

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

3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54826254) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54826254
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C22H23N3O4/c1-2-28-19-9-4-7-17(13-19)23-15-21(26)25-18-8-3-6-16(12-18)22(27)24-14-20-10-5-11-29-20/h3-13,23H,2,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBCBHDEXWKOQICB-UHFFFAOYSA-N
XLogP3.66
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
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]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
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-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54826254) is 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BCBHDEXWKOQICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-28-19-9-4-7-17(13-19)23-15-21(26)25-18-8-3-6-16(12-18)22(27)24-14-20-10-5-11-29-20/h3-13,23H,2,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 393.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54826254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).