N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C14H18ClN3O3 — CID 119628263

IUPACN-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)NCC(C)(C)N)cc2C1=O.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-14(2,15)7-16-11(18)8-4-5-9-10(6-8)13(20)17(3)12(9)19;/h4-6H,7,15H2,1-3H3,(H,16,18);1H
InChIKeyVHCMJEHAFOEEJN-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.80
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119628263) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119628263
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)NCC(C)(C)N)cc2C1=O.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-14(2,15)7-16-11(18)8-4-5-9-10(6-8)13(20)17(3)12(9)19;/h4-6H,7,15H2,1-3H3,(H,16,18);1H
InChIKeyVHCMJEHAFOEEJN-UHFFFAOYSA-N
XLogP0.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119641849
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-(2-amino-2-methylpropyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119626953
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119628263) is N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CN1C(=O)c2ccc(C(=O)NCC(C)(C)N)cc2C1=O.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is VHCMJEHAFOEEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-14(2,15)7-16-11(18)8-4-5-9-10(6-8)13(20)17(3)12(9)19;/h4-6H,7,15H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119628263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).