N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C13H17N3O2 — CID 103997919

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17N3O2/c1-16(2)12(17)8-15-13(18)9-3-4-10-6-14-7-11(10)5-9/h3-5,14H,6-8H2,1-2H3,(H,15,18)
InChIKeyOMCWEZSDCFJQPW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.11
Rot. Bonds3

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

N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997919) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997919
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17N3O2/c1-16(2)12(17)8-15-13(18)9-3-4-10-6-14-7-11(10)5-9/h3-5,14H,6-8H2,1-2H3,(H,15,18)
InChIKeyOMCWEZSDCFJQPW-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.11
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
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113450230
2-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-ethylbutanoic acid
CID 103999277
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363657
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997919) is N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CN(C)C(=O)CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is OMCWEZSDCFJQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)12(17)8-15-13(18)9-3-4-10-6-14-7-11(10)5-9/h3-5,14H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).