N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride

C17H25ClN4O3 — CID 119656251

IUPACN-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-17(2,10-18)11-20(3)15(23)13-6-4-5-12(7-13)9-21-14(22)8-19-16(21)24;/h4-7H,8-11,18H2,1-3H3,(H,19,24);1H
InChIKeyJZXJRJNGQZNCML-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.22
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119656251) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
PubChem CID119656251
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-17(2,10-18)11-20(3)15(23)13-6-4-5-12(7-13)9-21-14(22)8-19-16(21)24;/h4-7H,8-11,18H2,1-3H3,(H,19,24);1H
InChIKeyJZXJRJNGQZNCML-UHFFFAOYSA-N
XLogP1.22
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylbenzamide;dihydrochloride
CID 119655756
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 33046283
N-(3-amino-2,2-dimethylpropyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119654017
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
1-N-(3-amino-2,2-dimethylpropyl)-1-N,3-N-dimethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 119654649
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119655885

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride (CID 119656251) is N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is JZXJRJNGQZNCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-17(2,10-18)11-20(3)15(23)13-6-4-5-12(7-13)9-21-14(22)8-19-16(21)24;/h4-7H,8-11,18H2,1-3H3,(H,19,24);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119656251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).