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

C13H18N2O — CID 82171853

IUPACN-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H18N2O/c1-9(2)6-15-13(16)10-3-4-11-7-14-8-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyUNYUJEMPHSNAMI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds3

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

N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 82171853) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID82171853
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H18N2O/c1-9(2)6-15-13(16)10-3-4-11-7-14-8-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyUNYUJEMPHSNAMI-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363657
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
2-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-ethylbutanoic acid
CID 103999277
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113450230
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
CID 103998748

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 82171853) is N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC(C)CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is UNYUJEMPHSNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)6-15-13(16)10-3-4-11-7-14-8-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 82171853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).