N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide

C18H24N2O — CID 6498721

IUPACN-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide
SMILESCCn1c(CNC(=O)C2CCCCC2)cc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-20-16(12-15-10-6-7-11-17(15)20)13-19-18(21)14-8-4-3-5-9-14/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,19,21)
InChIKeyMMBHQTPYOGMGNE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds4

About N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide

N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 6498721) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID6498721
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide
SMILESCCn1c(CNC(=O)C2CCCCC2)cc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-20-16(12-15-10-6-7-11-17(15)20)13-19-18(21)14-8-4-3-5-9-14/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,19,21)
InChIKeyMMBHQTPYOGMGNE-UHFFFAOYSA-N
XLogP3.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide (CID 6498721) is N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide is CCn1c(CNC(=O)C2CCCCC2)cc2ccccc21.
What is the InChIKey of N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is MMBHQTPYOGMGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-20-16(12-15-10-6-7-11-17(15)20)13-19-18(21)14-8-4-3-5-9-14/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,19,21).
What are the key properties of N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide?
N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 6498721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).