N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide

C13H27N3O2 — CID 131933559

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
SMILESCOCCN(C)CC(=O)NCC1(C)CCN(C)C1
InChIInChI=1S/C13H27N3O2/c1-13(5-6-16(3)11-13)10-14-12(17)9-15(2)7-8-18-4/h5-11H2,1-4H3,(H,14,17)
InChIKeyUTKSACOVZGCEMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.02
Rot. Bonds7

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide (PubChem CID 131933559) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
PubChem CID131933559
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
SMILESCOCCN(C)CC(=O)NCC1(C)CCN(C)C1
InChIInChI=1S/C13H27N3O2/c1-13(5-6-16(3)11-13)10-14-12(17)9-15(2)7-8-18-4/h5-11H2,1-4H3,(H,14,17)
InChIKeyUTKSACOVZGCEMP-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide (CID 131933559) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide is COCCN(C)CC(=O)NCC1(C)CCN(C)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The InChIKey is UTKSACOVZGCEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(5-6-16(3)11-13)10-14-12(17)9-15(2)7-8-18-4/h5-11H2,1-4H3,(H,14,17).
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 131933559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).