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

C18H26ClN3O3 — CID 119607207

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(2)18(3,10-19)21-17(24)13-6-4-12(5-7-13)8-14-9-15(22)20-16(14)23;/h4-7,11,14H,8-10,19H2,1-3H3,(H,21,24)(H,20,22,23);1H
InChIKeyOEUCYVXAIMHJQT-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.42
Rot. Bonds6

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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 119607207) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID119607207
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(2)18(3,10-19)21-17(24)13-6-4-12(5-7-13)8-14-9-15(22)20-16(14)23;/h4-7,11,14H,8-10,19H2,1-3H3,(H,21,24)(H,20,22,23);1H
InChIKeyOEUCYVXAIMHJQT-UHFFFAOYSA-N
XLogP1.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride
CID 119606017
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-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-3-methylbutanamide
CID 119332298
(E)-2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]amino]hex-4-enoic acid
CID 120693039
4-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201378
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-[2-(cycloheptylamino)ethyl]-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119620286

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 119607207) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is OEUCYVXAIMHJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-11(2)18(3,10-19)21-17(24)13-6-4-12(5-7-13)8-14-9-15(22)20-16(14)23;/h4-7,11,14H,8-10,19H2,1-3H3,(H,21,24)(H,20,22,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.42, 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-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119607207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).