3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C22H23N3O3 — CID 54841912

IUPAC3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(17-7-3-2-4-8-17)25-22(27)18-9-5-10-19(13-18)23-15-21(26)24-14-20-11-6-12-28-20/h2-13,16,23H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVBVBLKOMMKHWCR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds8

About 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54841912) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54841912
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(17-7-3-2-4-8-17)25-22(27)18-9-5-10-19(13-18)23-15-21(26)24-14-20-11-6-12-28-20/h2-13,16,23H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVBVBLKOMMKHWCR-UHFFFAOYSA-N
XLogP3.50
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54841912) is 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is VBVBLKOMMKHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(17-7-3-2-4-8-17)25-22(27)18-9-5-10-19(13-18)23-15-21(26)24-14-20-11-6-12-28-20/h2-13,16,23H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54841912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).