3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C22H23N3O3 — CID 54834776

IUPAC3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C22H23N3O3/c1-25(16-17-7-3-2-4-8-17)21(26)15-23-19-10-5-9-18(13-19)22(27)24-14-20-11-6-12-28-20/h2-13,23H,14-16H2,1H3,(H,24,27)
InChIKeyDVSPTZGUBRKGGT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds8

About 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834776) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834776
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C22H23N3O3/c1-25(16-17-7-3-2-4-8-17)21(26)15-23-19-10-5-9-18(13-19)22(27)24-14-20-11-6-12-28-20/h2-13,23H,14-16H2,1H3,(H,24,27)
InChIKeyDVSPTZGUBRKGGT-UHFFFAOYSA-N
XLogP3.28
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(diethylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834716
3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110950668
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
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
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
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-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834724

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834776) is 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is CN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DVSPTZGUBRKGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(16-17-7-3-2-4-8-17)21(26)15-23-19-10-5-9-18(13-19)22(27)24-14-20-11-6-12-28-20/h2-13,23H,14-16H2,1H3,(H,24,27).
What are the key properties of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).