N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide

C17H24N2O — CID 110461340

IUPACN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)C3CCCC3)cc2C1
InChIInChI=1S/C17H24N2O/c1-12(2)19-10-14-7-8-16(9-15(14)11-19)18-17(20)13-5-3-4-6-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyWDAKXJNGGMUBJG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.54
Rot. Bonds3

About N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide (PubChem CID 110461340) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
PubChem CID110461340
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)C3CCCC3)cc2C1
InChIInChI=1S/C17H24N2O/c1-12(2)19-10-14-7-8-16(9-15(14)11-19)18-17(20)13-5-3-4-6-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyWDAKXJNGGMUBJG-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
CID 110459839
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942823
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16930858
N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942958
tert-butyl 5-(cyclopropanecarbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 153322492
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
CID 110461172
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide
CID 16930140

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide (CID 110461340) is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide is CC(C)N1Cc2ccc(NC(=O)C3CCCC3)cc2C1.
What is the InChIKey of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide?
The InChIKey is WDAKXJNGGMUBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19-10-14-7-8-16(9-15(14)11-19)18-17(20)13-5-3-4-6-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide?
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 110461340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).