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

C25H29N3O2 — CID 21078784

IUPACN-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4C)cc3)c2)o1
InChIInChI=1S/C25H29N3O2/c1-15-6-5-7-23(17(15)3)26-24(29)20-12-10-19(11-13-20)22-14-21(9-8-16(22)2)25-28-27-18(4)30-25/h8-15,17,23H,5-7H2,1-4H3,(H,26,29)
InChIKeyKGLIKKNOURHIJV-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.57
Rot. Bonds4

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

N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078784) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078784
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4C)cc3)c2)o1
InChIInChI=1S/C25H29N3O2/c1-15-6-5-7-23(17(15)3)26-24(29)20-12-10-19(11-13-20)22-14-21(9-8-16(22)2)25-28-27-18(4)30-25/h8-15,17,23H,5-7H2,1-4H3,(H,26,29)
InChIKeyKGLIKKNOURHIJV-UHFFFAOYSA-N
XLogP5.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078784) is N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4C)cc3)c2)o1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is KGLIKKNOURHIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-15-6-5-7-23(17(15)3)26-24(29)20-12-10-19(11-13-20)22-14-21(9-8-16(22)2)25-28-27-18(4)30-25/h8-15,17,23H,5-7H2,1-4H3,(H,26,29).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).