N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C17H24N2O — CID 103999041

IUPACN-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc3c(c2)CNC3)C1C
InChIInChI=1S/C17H24N2O/c1-3-12-6-7-16(11(12)2)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyPAUMIKDEFHATDG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999041) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999041
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc3c(c2)CNC3)C1C
InChIInChI=1S/C17H24N2O/c1-3-12-6-7-16(11(12)2)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyPAUMIKDEFHATDG-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999041) is N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CCC1CCC(NC(=O)c2ccc3c(c2)CNC3)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is PAUMIKDEFHATDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-12-6-7-16(11(12)2)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).