N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

C22H24N4O4 — CID 60535051

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCC(C)Cc1noc(CNc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C22H24N4O4/c1-14(2)9-20-25-21(30-26-20)12-23-17-6-4-3-5-16(17)22(27)24-11-15-7-8-18-19(10-15)29-13-28-18/h3-8,10,14,23H,9,11-13H2,1-2H3,(H,24,27)
InChIKeyZJLKVMRAXVEMHV-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.54
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 60535051) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID60535051
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCC(C)Cc1noc(CNc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C22H24N4O4/c1-14(2)9-20-25-21(30-26-20)12-23-17-6-4-3-5-16(17)22(27)24-11-15-7-8-18-19(10-15)29-13-28-18/h3-8,10,14,23H,9,11-13H2,1-2H3,(H,24,27)
InChIKeyZJLKVMRAXVEMHV-UHFFFAOYSA-N
XLogP3.54
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 134018346
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzamide
CID 9113968
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55342979
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55522143
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2373674
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764346
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 60535051) is N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is CC(C)Cc1noc(CNc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is ZJLKVMRAXVEMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(2)9-20-25-21(30-26-20)12-23-17-6-4-3-5-16(17)22(27)24-11-15-7-8-18-19(10-15)29-13-28-18/h3-8,10,14,23H,9,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 408.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 60535051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).