N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide

C17H24N2O — CID 107176784

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C17H24N2O/c1-12-5-4-7-14(12)17(20)18-10-9-13-11-19-16-8-3-2-6-15(13)16/h2-3,6,8,12-14,19H,4-5,7,9-11H2,1H3,(H,18,20)
InChIKeyDAISUPAABKGGMQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107176784) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107176784
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C17H24N2O/c1-12-5-4-7-14(12)17(20)18-10-9-13-11-19-16-8-3-2-6-15(13)16/h2-3,6,8,12-14,19H,4-5,7,9-11H2,1H3,(H,18,20)
InChIKeyDAISUPAABKGGMQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide (CID 107176784) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is DAISUPAABKGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-5-4-7-14(12)17(20)18-10-9-13-11-19-16-8-3-2-6-15(13)16/h2-3,6,8,12-14,19H,4-5,7,9-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107176784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).