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

C24H29N3O2 — CID 21078780

IUPACN-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C24H29N3O2/c1-6-15(2)13-17(4)25-23(28)20-11-9-19(10-12-20)22-14-21(8-7-16(22)3)24-27-26-18(5)29-24/h7-12,14-15,17H,6,13H2,1-5H3,(H,25,28)
InChIKeyBSACWZDBXVGXJD-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.57
Rot. Bonds7

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

N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078780) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078780
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C24H29N3O2/c1-6-15(2)13-17(4)25-23(28)20-11-9-19(10-12-20)22-14-21(8-7-16(22)3)24-27-26-18(5)29-24/h7-12,14-15,17H,6,13H2,1-5H3,(H,25,28)
InChIKeyBSACWZDBXVGXJD-UHFFFAOYSA-N
XLogP5.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
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-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078780) is N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is CCC(C)CC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1.
What is the InChIKey of N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is BSACWZDBXVGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-6-15(2)13-17(4)25-23(28)20-11-9-19(10-12-20)22-14-21(8-7-16(22)3)24-27-26-18(5)29-24/h7-12,14-15,17H,6,13H2,1-5H3,(H,25,28).
What are the key properties of N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 391.52 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).