3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C22H23N3O3 — CID 54834540

IUPAC3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1C
InChIInChI=1S/C22H23N3O3/c1-15-6-3-10-20(16(15)2)25-21(26)14-23-18-8-4-7-17(12-18)22(27)24-13-19-9-5-11-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyPBJYRIBNYDSMSF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.88
Rot. Bonds7

About 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834540) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834540
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1C
InChIInChI=1S/C22H23N3O3/c1-15-6-3-10-20(16(15)2)25-21(26)14-23-18-8-4-7-17(12-18)22(27)24-13-19-9-5-11-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyPBJYRIBNYDSMSF-UHFFFAOYSA-N
XLogP3.88
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
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-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834422
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
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 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834540) is 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is Cc1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1C.
What is the InChIKey of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PBJYRIBNYDSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-3-10-20(16(15)2)25-21(26)14-23-18-8-4-7-17(12-18)22(27)24-13-19-9-5-11-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).