4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide

C21H22N2O4 — CID 37433435

IUPAC4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)CCc2ccco2)cc1
InChIInChI=1S/C21H22N2O4/c1-22-21(25)17-8-6-16(7-9-17)14-23(15-19-5-3-13-27-19)20(24)11-10-18-4-2-12-26-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25)
InChIKeyMYQBXTGQRGSESS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.39
Rot. Bonds8

About 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide

4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide (PubChem CID 37433435) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
PubChem CID37433435
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)CCc2ccco2)cc1
InChIInChI=1S/C21H22N2O4/c1-22-21(25)17-8-6-16(7-9-17)14-23(15-19-5-3-13-27-19)20(24)11-10-18-4-2-12-26-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25)
InChIKeyMYQBXTGQRGSESS-UHFFFAOYSA-N
XLogP3.39
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitropyridine-3-carboxamide
CID 86925746
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide (CID 37433435) is 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)CCc2ccco2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is MYQBXTGQRGSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-21(25)17-8-6-16(7-9-17)14-23(15-19-5-3-13-27-19)20(24)11-10-18-4-2-12-26-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25).
What are the key properties of 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37433435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).