N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

C24H28N2O2 — CID 10339507

IUPACN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C24H28N2O2/c1-28-19-12-13-22-21(16-19)20(23(26-22)17-8-4-2-5-9-17)14-15-25-24(27)18-10-6-3-7-11-18/h2,4-5,8-9,12-13,16,18,26H,3,6-7,10-11,14-15H2,1H3,(H,25,27)
InChIKeyKCURJNMDDBOAAU-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.08
Rot. Bonds6

About N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 10339507) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID10339507
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C24H28N2O2/c1-28-19-12-13-22-21(16-19)20(23(26-22)17-8-4-2-5-9-17)14-15-25-24(27)18-10-6-3-7-11-18/h2,4-5,8-9,12-13,16,18,26H,3,6-7,10-11,14-15H2,1H3,(H,25,27)
InChIKeyKCURJNMDDBOAAU-UHFFFAOYSA-N
XLogP5.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (CID 10339507) is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CCCCC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is KCURJNMDDBOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-19-12-13-22-21(16-19)20(23(26-22)17-8-4-2-5-9-17)14-15-25-24(27)18-10-6-3-7-11-18/h2,4-5,8-9,12-13,16,18,26H,3,6-7,10-11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 10339507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).