N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride

C19H28ClN3O3 — CID 119659302

IUPACN-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12(2)16(20)8-9-22(3)19(25)14-6-4-13(5-7-14)10-15-11-17(23)21-18(15)24;/h4-7,12,15-16H,8-11,20H2,1-3H3,(H,21,23,24);1H
InChIKeyAHOGYEGRUQHRDV-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.76
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119659302) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
PubChem CID119659302
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12(2)16(20)8-9-22(3)19(25)14-6-4-13(5-7-14)10-15-11-17(23)21-18(15)24;/h4-7,12,15-16H,8-11,20H2,1-3H3,(H,21,23,24);1H
InChIKeyAHOGYEGRUQHRDV-UHFFFAOYSA-N
XLogP1.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.76
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-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 71991540
N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
CID 119659238
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119657579
2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193376
N-(3-amino-4-methylpentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711691
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-3-methylbutanamide
CID 119332298
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119607207
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride (CID 119659302) is N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is AHOGYEGRUQHRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-12(2)16(20)8-9-22(3)19(25)14-6-4-13(5-7-14)10-15-11-17(23)21-18(15)24;/h4-7,12,15-16H,8-11,20H2,1-3H3,(H,21,23,24);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119659302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).