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

C25H29N3O2 — CID 21078791

IUPACN-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1)C1CCCCC1
InChIInChI=1S/C25H29N3O2/c1-4-28(22-8-6-5-7-9-22)25(29)20-14-12-19(13-15-20)23-16-21(11-10-17(23)2)24-27-26-18(3)30-24/h10-16,22H,4-9H2,1-3H3
InChIKeyOLQZPRKEORSSRS-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.82
Rot. Bonds5

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

N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078791) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078791
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1)C1CCCCC1
InChIInChI=1S/C25H29N3O2/c1-4-28(22-8-6-5-7-9-22)25(29)20-14-12-19(13-15-20)23-16-21(11-10-17(23)2)24-27-26-18(3)30-24/h10-16,22H,4-9H2,1-3H3
InChIKeyOLQZPRKEORSSRS-UHFFFAOYSA-N
XLogP5.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078791) is N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is CCN(C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is OLQZPRKEORSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-4-28(22-8-6-5-7-9-22)25(29)20-14-12-19(13-15-20)23-16-21(11-10-17(23)2)24-27-26-18(3)30-24/h10-16,22H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-cyclohexyl-N-ethyl-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 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).