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

C16H20N2O — CID 46400456

IUPACN-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide
SMILESCc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H20N2O/c1-11-9-13-10-14(7-8-15(13)17-11)18-16(19)12-5-3-2-4-6-12/h7-10,12,17H,2-6H2,1H3,(H,18,19)
InChIKeyVFQGCSZINPSFBG-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.00
Rot. Bonds2

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

N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide (PubChem CID 46400456) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide
PubChem CID46400456
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide
SMILESCc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H20N2O/c1-11-9-13-10-14(7-8-15(13)17-11)18-16(19)12-5-3-2-4-6-12/h7-10,12,17H,2-6H2,1H3,(H,18,19)
InChIKeyVFQGCSZINPSFBG-UHFFFAOYSA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide (CID 46400456) is N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide is Cc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide?
The InChIKey is VFQGCSZINPSFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-13-10-14(7-8-15(13)17-11)18-16(19)12-5-3-2-4-6-12/h7-10,12,17H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide?
N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 46400456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).