[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

C26H29N3O4 — CID 24518982

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(C)C4CCC(C)CC4)cc3)o2)cc1
InChIInChI=1S/C26H29N3O4/c1-17-4-8-19(9-5-17)24-27-28-25(33-24)20-10-12-21(13-11-20)26(31)32-16-23(30)29(3)22-14-6-18(2)7-15-22/h4-5,8-13,18,22H,6-7,14-16H2,1-3H3
InChIKeyXMOGQZAUOYHRBD-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.91
Rot. Bonds6

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 24518982) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID24518982
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(C)C4CCC(C)CC4)cc3)o2)cc1
InChIInChI=1S/C26H29N3O4/c1-17-4-8-19(9-5-17)24-27-28-25(33-24)20-10-12-21(13-11-20)26(31)32-16-23(30)29(3)22-14-6-18(2)7-15-22/h4-5,8-13,18,22H,6-7,14-16H2,1-3H3
InChIKeyXMOGQZAUOYHRBD-UHFFFAOYSA-N
XLogP4.91
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate with MolForge

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8565759
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24519008
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 55425836
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 32571002
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46543568
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518985
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 8568938

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 24518982) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(C)C4CCC(C)CC4)cc3)o2)cc1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is XMOGQZAUOYHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-4-8-19(9-5-17)24-27-28-25(33-24)20-10-12-21(13-11-20)26(31)32-16-23(30)29(3)22-14-6-18(2)7-15-22/h4-5,8-13,18,22H,6-7,14-16H2,1-3H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 447.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 24518982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).