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

C15H23N3O — CID 103998673

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H23N3O/c1-15(2,18(3)4)10-17-14(19)11-5-6-12-8-16-9-13(12)7-11/h5-7,16H,8-10H2,1-4H3,(H,17,19)
InChIKeyKTHHRRONMSPSTO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.36
Rot. Bonds4

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

N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998673) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998673
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H23N3O/c1-15(2,18(3)4)10-17-14(19)11-5-6-12-8-16-9-13(12)7-11/h5-7,16H,8-10H2,1-4H3,(H,17,19)
InChIKeyKTHHRRONMSPSTO-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113475632
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998673) is N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CN(C)C(C)(C)CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is KTHHRRONMSPSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,18(3)4)10-17-14(19)11-5-6-12-8-16-9-13(12)7-11/h5-7,16H,8-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).