N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide

C28H34N2O — CID 56651017

IUPACN-(1-adamantyl)-9-pentylcarbazole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C28H34N2O/c1-2-3-6-11-30-25-8-5-4-7-23(25)24-15-22(9-10-26(24)30)27(31)29-28-16-19-12-20(17-28)14-21(13-19)18-28/h4-5,7-10,15,19-21H,2-3,6,11-14,16-18H2,1H3,(H,29,31)
InChIKeyNYYAXZBPWLXGNF-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.68
Rot. Bonds6

About N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide

N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide (PubChem CID 56651017) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-9-pentylcarbazole-3-carboxamide
PubChem CID56651017
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-(1-adamantyl)-9-pentylcarbazole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C28H34N2O/c1-2-3-6-11-30-25-8-5-4-7-23(25)24-15-22(9-10-26(24)30)27(31)29-28-16-19-12-20(17-28)14-21(13-19)18-28/h4-5,7-10,15,19-21H,2-3,6,11-14,16-18H2,1H3,(H,29,31)
InChIKeyNYYAXZBPWLXGNF-UHFFFAOYSA-N
XLogP6.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide (CID 56651017) is N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide is CCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide?
The InChIKey is NYYAXZBPWLXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-2-3-6-11-30-25-8-5-4-7-23(25)24-15-22(9-10-26(24)30)27(31)29-28-16-19-12-20(17-28)14-21(13-19)18-28/h4-5,7-10,15,19-21H,2-3,6,11-14,16-18H2,1H3,(H,29,31).
What are the key properties of N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide?
N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide is sourced from PubChem (CID 56651017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).