N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide

C17H22N2O — CID 4610985

IUPACN-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C
InChIInChI=1S/C17H22N2O/c1-12-9-15-10-13(7-8-16(15)19(12)2)11-18-17(20)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyYGFAOHOYIFFENX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds3

About N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide

N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide (PubChem CID 4610985) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide
PubChem CID4610985
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C
InChIInChI=1S/C17H22N2O/c1-12-9-15-10-13(7-8-16(15)19(12)2)11-18-17(20)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyYGFAOHOYIFFENX-UHFFFAOYSA-N
XLogP3.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide (CID 4610985) is N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide is Cc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide?
The InChIKey is YGFAOHOYIFFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-9-15-10-13(7-8-16(15)19(12)2)11-18-17(20)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide?
N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 4610985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).