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

C14H20N2O2 — CID 113450230

IUPACN-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2/c1-14(2,18-3)9-16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyPTRXXRQHLCKJBK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds4

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

N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 113450230) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID113450230
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2/c1-14(2,18-3)9-16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyPTRXXRQHLCKJBK-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673
2-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-ethylbutanoic acid
CID 103999277
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104761349
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
CID 103998421
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 113450230) is N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is COC(C)(C)CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is PTRXXRQHLCKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,18-3)9-16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,15H,7-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 113450230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).