N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide

C17H22N2O — CID 6498741

IUPACN-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2[nH]c(CNC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O/c1-12-7-8-16-14(9-12)10-15(19-16)11-18-17(20)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,18,20)
InChIKeyJDJIZZWRBHJRNL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds3

About N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide

N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 6498741) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID6498741
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2[nH]c(CNC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O/c1-12-7-8-16-14(9-12)10-15(19-16)11-18-17(20)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,18,20)
InChIKeyJDJIZZWRBHJRNL-UHFFFAOYSA-N
XLogP3.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide (CID 6498741) is N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide is Cc1ccc2[nH]c(CNC(=O)C3CCCCC3)cc2c1.
What is the InChIKey of N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is JDJIZZWRBHJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-8-16-14(9-12)10-15(19-16)11-18-17(20)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,18,20).
What are the key properties of N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-indol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 6498741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).