2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide

C13H25N3O — CID 79314252

IUPAC2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
SMILESCCN1CCCC1CN(C)C(=O)CC1CNC1
InChIInChI=1S/C13H25N3O/c1-3-16-6-4-5-12(16)10-15(2)13(17)7-11-8-14-9-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXZHYQGONASKDAI-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide

2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide (PubChem CID 79314252) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
PubChem CID79314252
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
SMILESCCN1CCCC1CN(C)C(=O)CC1CNC1
InChIInChI=1S/C13H25N3O/c1-3-16-6-4-5-12(16)10-15(2)13(17)7-11-8-14-9-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXZHYQGONASKDAI-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313512
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 79465871
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103720333

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide (CID 79314252) is 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide is CCN1CCCC1CN(C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The InChIKey is XZHYQGONASKDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-16-6-4-5-12(16)10-15(2)13(17)7-11-8-14-9-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 79314252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).