6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide

C31H39N3O4 — CID 22087198

About 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide

6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide (PubChem CID 22087198) has the molecular formula C31H39N3O4 and a molecular weight of 517.67 g/mol. Its IUPAC name is 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide.

Molecular Properties

• Compound Name: 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide
• PubChem CID: 22087198
• Molecular Formula: C31H39N3O4
• Molecular Weight: 517.67 g/mol
• Exact Mass: 517.29
• IUPAC Name: 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide
• SMILES: CC(C)(Cc1ccc(OCCCCCC(N)=O)cc1)NCC(O)COc1cccc2[nH]c3ccccc3c12
• InChI: InChI=1S/C31H39N3O4/c1-31(2,19-22-14-16-24(17-15-22)37-18-7-3-4-13-29(32)36)33-20-23(35)21-38-28-12-8-11-27-30(28)25-9-5-6-10-26(25)34-27/h5-6,8-12,14-17,23,33-35H,3-4,7,13,18-21H2,1-2H3,(H2,32,36)
• InChIKey: AUHPOCVZGKUMCR-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 109.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.67
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide?

The IUPAC name of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide (CID 22087198) is 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide.

What is the SMILES notation for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide?

The canonical SMILES for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide is CC(C)(Cc1ccc(OCCCCCC(N)=O)cc1)NCC(O)COc1cccc2[nH]c3ccccc3c12.

What is the InChIKey of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide?

The InChIKey is AUHPOCVZGKUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O4/c1-31(2,19-22-14-16-24(17-15-22)37-18-7-3-4-13-29(32)36)33-20-23(35)21-38-28-12-8-11-27-30(28)25-9-5-6-10-26(25)34-27/h5-6,8-12,14-17,23,33-35H,3-4,7,13,18-21H2,1-2H3,(H2,32,36).

What are the key properties of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide?

6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide has a molecular weight of 517.67 g/mol, XLogP of 5.10, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide is sourced from PubChem (CID 22087198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).