2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide

C24H31N3O2 — CID 11958414

IUPAC2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C24H31N3O2/c1-3-5-17-27-24(29-4-2)21-15-14-20(18-22(21)26-27)23(28)25-16-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,14-15,18H,3-5,9-10,13,16-17H2,1-2H3,(H,25,28)
InChIKeyWMJOMUNZUSDHGZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.99
Rot. Bonds11

About 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide

2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide (PubChem CID 11958414) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide
PubChem CID11958414
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C24H31N3O2/c1-3-5-17-27-24(29-4-2)21-15-14-20(18-22(21)26-27)23(28)25-16-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,14-15,18H,3-5,9-10,13,16-17H2,1-2H3,(H,25,28)
InChIKeyWMJOMUNZUSDHGZ-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide (CID 11958414) is 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide?
The InChIKey is WMJOMUNZUSDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-5-17-27-24(29-4-2)21-15-14-20(18-22(21)26-27)23(28)25-16-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,14-15,18H,3-5,9-10,13,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide?
2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-(4-phenylbutyl)indazole-6-carboxamide is sourced from PubChem (CID 11958414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).