N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide

C15H23N3O — CID 120705010

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-12-8-14(17-15(19)9-16-2)11-18(12)10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyOISKJSJGMLTNPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.99
Rot. Bonds5

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide

N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide (PubChem CID 120705010) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
PubChem CID120705010
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-12-8-14(17-15(19)9-16-2)11-18(12)10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyOISKJSJGMLTNPS-UHFFFAOYSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide (CID 120705010) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide is CNCC(=O)NC1CC(C)N(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide?
The InChIKey is OISKJSJGMLTNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-8-14(17-15(19)9-16-2)11-18(12)10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 120705010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).