N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C18H20N2O — CID 103999158

IUPACN-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C18H20N2O/c1-13-4-2-3-5-14(13)8-9-20-18(21)15-6-7-16-11-19-12-17(16)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyFAKWSXISKMRHMB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999158) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999158
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C18H20N2O/c1-13-4-2-3-5-14(13)8-9-20-18(21)15-6-7-16-11-19-12-17(16)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyFAKWSXISKMRHMB-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
CID 116613024
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999158) is N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is Cc1ccccc1CCNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is FAKWSXISKMRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-2-3-5-14(13)8-9-20-18(21)15-6-7-16-11-19-12-17(16)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).