N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide

C17H20N2O4 — CID 122147373

IUPACN-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)(O)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-17(2,22)16(21)19-10-12-5-3-6-13(9-12)15(20)18-11-14-7-4-8-23-14/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZSGXFEBFJRSZDA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.60
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide (PubChem CID 122147373) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
PubChem CID122147373
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)(O)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-17(2,22)16(21)19-10-12-5-3-6-13(9-12)15(20)18-11-14-7-4-8-23-14/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZSGXFEBFJRSZDA-UHFFFAOYSA-N
XLogP1.60
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 133319102
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110950668
N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
CID 111463790

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide (CID 122147373) is N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide is CC(C)(O)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The InChIKey is ZSGXFEBFJRSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(2,22)16(21)19-10-12-5-3-6-13(9-12)15(20)18-11-14-7-4-8-23-14/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 122147373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).