3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide

C24H36N4O4 — CID 70905337

About 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide

3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide (PubChem CID 70905337) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide.

Molecular Properties

• Compound Name: 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
• PubChem CID: 70905337
• Molecular Formula: C24H36N4O4
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.27
• IUPAC Name: 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
• SMILES: Cc1ccc2c(N3CCN(CCC4CCC(NC(=O)CC(O)CO)CC4)CC3)noc2c1
• InChI: InChI=1S/C24H36N4O4/c1-17-2-7-21-22(14-17)32-26-24(21)28-12-10-27(11-13-28)9-8-18-3-5-19(6-4-18)25-23(31)15-20(30)16-29/h2,7,14,18-20,29-30H,3-6,8-13,15-16H2,1H3,(H,25,31)
• InChIKey: KJXYBBSDMIABJO-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 102.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?

The IUPAC name of 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide (CID 70905337) is 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide.

What is the SMILES notation for 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?

The canonical SMILES for 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide is Cc1ccc2c(N3CCN(CCC4CCC(NC(=O)CC(O)CO)CC4)CC3)noc2c1.

What is the InChIKey of 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?

The InChIKey is KJXYBBSDMIABJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-17-2-7-21-22(14-17)32-26-24(21)28-12-10-27(11-13-28)9-8-18-3-5-19(6-4-18)25-23(31)15-20(30)16-29/h2,7,14,18-20,29-30H,3-6,8-13,15-16H2,1H3,(H,25,31).

What are the key properties of 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?

3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide has a molecular weight of 444.58 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydroxy-N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]butanamide is sourced from PubChem (CID 70905337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).