N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride

C17H25ClN4O3 — CID 119606017

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-11(2)17(3,10-18)20-15(23)13-6-4-12(5-7-13)9-21-14(22)8-19-16(21)24;/h4-7,11H,8-10,18H2,1-3H3,(H,19,24)(H,20,23);1H
InChIKeyVORULMMBNMDPQZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.26
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 119606017) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride
PubChem CID119606017
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-11(2)17(3,10-18)20-15(23)13-6-4-12(5-7-13)9-21-14(22)8-19-16(21)24;/h4-7,11H,8-10,18H2,1-3H3,(H,19,24)(H,20,23);1H
InChIKeyVORULMMBNMDPQZ-UHFFFAOYSA-N
XLogP1.26
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119607207
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride (CID 119606017) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is VORULMMBNMDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-11(2)17(3,10-18)20-15(23)13-6-4-12(5-7-13)9-21-14(22)8-19-16(21)24;/h4-7,11H,8-10,18H2,1-3H3,(H,19,24)(H,20,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119606017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).