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

C21H24ClN3O3 — CID 119630318

IUPACN-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCC(C)(C)N)cc3C2=O)c1.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-12-5-6-13(2)17(9-12)24-19(26)15-8-7-14(10-16(15)20(24)27)18(25)23-11-21(3,4)22;/h5-10H,11,22H2,1-4H3,(H,23,25);1H
InChIKeyMEIXCSCYCQHBPP-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.99
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119630318) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119630318
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCC(C)(C)N)cc3C2=O)c1.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-12-5-6-13(2)17(9-12)24-19(26)15-8-7-14(10-16(15)20(24)27)18(25)23-11-21(3,4)22;/h5-10H,11,22H2,1-4H3,(H,23,25);1H
InChIKeyMEIXCSCYCQHBPP-UHFFFAOYSA-N
XLogP2.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.99
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

2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
3-[[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoic acid
CID 108767656
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55784326
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
2-(2,5-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55377900
2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55985232

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119630318) is N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCC(C)(C)N)cc3C2=O)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is MEIXCSCYCQHBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c1-12-5-6-13(2)17(9-12)24-19(26)15-8-7-14(10-16(15)20(24)27)18(25)23-11-21(3,4)22;/h5-10H,11,22H2,1-4H3,(H,23,25);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 2.99, 4 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-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119630318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).