N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

C19H27ClN4O3 — CID 120648250

IUPACN-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-19(15-8-9-15)17(25)23(18(26)21-19)13-16(24)22(11-5-10-20)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,20H2,1H3,(H,21,26);1H
InChIKeyWWQUOXXSQHCEDL-UHFFFAOYSA-N
MW394.90 g/mol
LogP1.51
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 120648250) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID120648250
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-19(15-8-9-15)17(25)23(18(26)21-19)13-16(24)22(11-5-10-20)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,20H2,1H3,(H,21,26);1H
InChIKeyWWQUOXXSQHCEDL-UHFFFAOYSA-N
XLogP1.51
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.51
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-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 120649218
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9184509
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500326
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135893611
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 84601822
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 120648250) is N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is CC1(C2CC2)NC(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is WWQUOXXSQHCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-19(15-8-9-15)17(25)23(18(26)21-19)13-16(24)22(11-5-10-20)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,20H2,1H3,(H,21,26);1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120648250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).