3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide

C26H30N2O3 — CID 118321683

IUPAC3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESCCCCC1CCC(C(=O)C2C(=O)N(C(=O)Nc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C26H30N2O3/c1-2-3-9-18-14-16-19(17-15-18)24(29)23-21-12-7-8-13-22(21)28(25(23)30)26(31)27-20-10-5-4-6-11-20/h4-8,10-13,18-19,23H,2-3,9,14-17H2,1H3,(H,27,31)
InChIKeyMQSOWYUKZIHIEP-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.91
Rot. Bonds6

About 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide

3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide (PubChem CID 118321683) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide.

Molecular Properties

Compound Name3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide
PubChem CID118321683
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESCCCCC1CCC(C(=O)C2C(=O)N(C(=O)Nc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C26H30N2O3/c1-2-3-9-18-14-16-19(17-15-18)24(29)23-21-12-7-8-13-22(21)28(25(23)30)26(31)27-20-10-5-4-6-11-20/h4-8,10-13,18-19,23H,2-3,9,14-17H2,1H3,(H,27,31)
InChIKeyMQSOWYUKZIHIEP-UHFFFAOYSA-N
XLogP5.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The IUPAC name of 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide (CID 118321683) is 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide.
What is the SMILES notation for 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The canonical SMILES for 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide is CCCCC1CCC(C(=O)C2C(=O)N(C(=O)Nc3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The InChIKey is MQSOWYUKZIHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-2-3-9-18-14-16-19(17-15-18)24(29)23-21-12-7-8-13-22(21)28(25(23)30)26(31)27-20-10-5-4-6-11-20/h4-8,10-13,18-19,23H,2-3,9,14-17H2,1H3,(H,27,31).
What are the key properties of 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide?
3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide is sourced from PubChem (CID 118321683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).