N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

C24H36N4O4 — CID 44609490

IUPACN-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCCO
InChIInChI=1S/C24H36N4O4/c1-16(2)22-26-24(32-27-22)28-10-7-19(8-11-28)6-5-13-31-20-14-17(3)21(18(4)15-20)23(30)25-9-12-29/h14-16,19,29H,5-13H2,1-4H3,(H,25,30)
InChIKeyJQDVDQXIOIUGAC-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.61
Rot. Bonds10

About N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (PubChem CID 44609490) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
PubChem CID44609490
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC NameN-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCCO
InChIInChI=1S/C24H36N4O4/c1-16(2)22-26-24(32-27-22)28-10-7-19(8-11-28)6-5-13-31-20-14-17(3)21(18(4)15-20)23(30)25-9-12-29/h14-16,19,29H,5-13H2,1-4H3,(H,25,30)
InChIKeyJQDVDQXIOIUGAC-UHFFFAOYSA-N
XLogP3.61
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide 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-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (CID 44609490) is N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is Cc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The InChIKey is JQDVDQXIOIUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-16(2)22-26-24(32-27-22)28-10-7-19(8-11-28)6-5-13-31-20-14-17(3)21(18(4)15-20)23(30)25-9-12-29/h14-16,19,29H,5-13H2,1-4H3,(H,25,30).
What are the key properties of N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is sourced from PubChem (CID 44609490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).