N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide

C30H30N4O3 — CID 55879044

IUPACN-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C30H30N4O3/c1-19-8-6-7-11-25(19)30-34-33-29(37-30)22-14-12-21(13-15-22)27(35)32-26-17-16-23(18-20(26)2)28(36)31-24-9-4-3-5-10-24/h6-8,11-18,24H,3-5,9-10H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyKKQXKZMNGGWYNY-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.34
Rot. Bonds6

About N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide

N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide (PubChem CID 55879044) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
PubChem CID55879044
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C30H30N4O3/c1-19-8-6-7-11-25(19)30-34-33-29(37-30)22-14-12-21(13-15-22)27(35)32-26-17-16-23(18-20(26)2)28(36)31-24-9-4-3-5-10-24/h6-8,11-18,24H,3-5,9-10H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyKKQXKZMNGGWYNY-UHFFFAOYSA-N
XLogP6.34
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]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-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide (CID 55879044) is N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The InChIKey is KKQXKZMNGGWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-19-8-6-7-11-25(19)30-34-33-29(37-30)22-14-12-21(13-15-22)27(35)32-26-17-16-23(18-20(26)2)28(36)31-24-9-4-3-5-10-24/h6-8,11-18,24H,3-5,9-10H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide has a molecular weight of 494.60 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide is sourced from PubChem (CID 55879044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).