N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide

C22H24N4O3 — CID 34731870

IUPACN-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H24N4O3/c1-15(2)14-23-21(28)17-10-6-7-11-18(17)24-19(27)12-13-20-25-26-22(29-20)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyXRYVIVAEFUPJIU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.69
Rot. Bonds8

About N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide

N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (PubChem CID 34731870) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
PubChem CID34731870
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H24N4O3/c1-15(2)14-23-21(28)17-10-6-7-11-18(17)24-19(27)12-13-20-25-26-22(29-20)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyXRYVIVAEFUPJIU-UHFFFAOYSA-N
XLogP3.69
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46420007
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (CID 34731870) is N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The InChIKey is XRYVIVAEFUPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)14-23-21(28)17-10-6-7-11-18(17)24-19(27)12-13-20-25-26-22(29-20)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 34731870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).