N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride

C17H29Cl2N3O2 — CID 119895540

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CC(C)N(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-10-16(19-17(21)11-18-8-9-22-2)13-20(14)12-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H
InChIKeyVRNKXOWNWXCJRU-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.85
Rot. Bonds8

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119895540) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119895540
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CC(C)N(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-10-16(19-17(21)11-18-8-9-22-2)13-20(14)12-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H
InChIKeyVRNKXOWNWXCJRU-UHFFFAOYSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119895468
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119895498
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
CID 119900615
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119899112

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119895540) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NC1CC(C)N(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is VRNKXOWNWXCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-14-10-16(19-17(21)11-18-8-9-22-2)13-20(14)12-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119895540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).