N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide

C16H22N2O — CID 103997969

IUPACN-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CNC2)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)16(19)12-7-8-13-10-17-11-14(13)9-12/h7-9,15,17H,2-6,10-11H2,1H3
InChIKeyIOERLHOSLVWZIG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.69
Rot. Bonds3

About N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide

N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997969) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997969
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CNC2)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)16(19)12-7-8-13-10-17-11-14(13)9-12/h7-9,15,17H,2-6,10-11H2,1H3
InChIKeyIOERLHOSLVWZIG-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325599
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998500
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363668
N-cyclopentyl-N-ethyl-1H-indazole-6-carboxamide
CID 62905257

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997969) is N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CNC2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is IOERLHOSLVWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)16(19)12-7-8-13-10-17-11-14(13)9-12/h7-9,15,17H,2-6,10-11H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).