N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C22H29N3O5 — CID 4123267

About N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4123267) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
• PubChem CID: 4123267
• Molecular Formula: C22H29N3O5
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.21
• IUPAC Name: N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1
• InChI: InChI=1S/C22H29N3O5/c1-15-9-20(24-30-15)23-21(26)14-25(13-16-7-5-4-6-8-16)22(27)17-10-18(28-2)12-19(11-17)29-3/h9-12,16H,4-8,13-14H2,1-3H3,(H,23,24,26)
• InChIKey: IRLJUXLLLQGYGP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 4123267) is N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is COc1cc(OC)cc(C(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1.

What is the InChIKey of N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The InChIKey is IRLJUXLLLQGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-15-9-20(24-30-15)23-21(26)14-25(13-16-7-5-4-6-8-16)22(27)17-10-18(28-2)12-19(11-17)29-3/h9-12,16H,4-8,13-14H2,1-3H3,(H,23,24,26).

What are the key properties of N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4123267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).