N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide

C₂₃H₃₀N₂O₂ — CID 56666135

About N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide

N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide (PubChem CID 56666135) has the molecular formula C₂₃H₃₀N₂O₂ and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide.

Molecular Properties

• Compound Name: N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide
• PubChem CID: 56666135
• Molecular Formula: C₂₃H₃₀N₂O₂
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.23
• IUPAC Name: N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide
• SMILES: CCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21
• InChI: InChI=1S/C23H30N2O2/c1-2-3-4-5-6-9-15-25-22-11-8-7-10-20(22)21-13-12-19(17-23(21)25)27-16-14-24-18-26/h7-8,10-13,17-18H,2-6,9,14-16H2,1H3,(H,24,26)
• InChIKey: VXTOMGNCYHMCBK-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 43.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?

The IUPAC name of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide (CID 56666135) is N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide.

What is the SMILES notation for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?

The canonical SMILES for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide is CCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21.

What is the InChIKey of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?

The InChIKey is VXTOMGNCYHMCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-4-5-6-9-15-25-22-11-8-7-10-20(22)21-13-12-19(17-23(21)25)27-16-14-24-18-26/h7-8,10-13,17-18H,2-6,9,14-16H2,1H3,(H,24,26).

What are the key properties of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?

N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide has a molecular weight of 366.51 g/mol, XLogP of 5.28, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide is sourced from PubChem (CID 56666135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56666135 — identifiers, structure, computed properties (public domain)

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