N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide

C9H18N2O2 — CID 23557901

IUPACN-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H18N2O2/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyLKFSIDZGIDIFRX-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.30
Rot. Bonds3

About N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide

N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide (PubChem CID 23557901) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide
PubChem CID23557901
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H18N2O2/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyLKFSIDZGIDIFRX-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide?
The IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide (CID 23557901) is N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide is COCC(=O)NC1CN(C)CC1C.
What is the InChIKey of N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide?
The InChIKey is LKFSIDZGIDIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide?
N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide has a molecular weight of 186.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide is sourced from PubChem (CID 23557901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).