N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide

C17H24N4O2 — CID 47077683

IUPACN,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
SMILESCC(C)Cc1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)9-15-19-16(23-20-15)11-18-14-8-6-5-7-13(14)10-17(22)21(3)4/h5-8,12,18H,9-11H2,1-4H3
InChIKeyRIBNNCPWYJLBSO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.51
Rot. Bonds7

About N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide

N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide (PubChem CID 47077683) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
PubChem CID47077683
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
SMILESCC(C)Cc1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)9-15-19-16(23-20-15)11-18-14-8-6-5-7-13(14)10-17(22)21(3)4/h5-8,12,18H,9-11H2,1-4H3
InChIKeyRIBNNCPWYJLBSO-UHFFFAOYSA-N
XLogP2.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide (CID 47077683) is N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide is CC(C)Cc1noc(CNc2ccccc2CC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The InChIKey is RIBNNCPWYJLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)9-15-19-16(23-20-15)11-18-14-8-6-5-7-13(14)10-17(22)21(3)4/h5-8,12,18H,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 47077683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).