2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C12H25ClN2O3 — CID 119552841

IUPAC2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCOCCOC(C)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-4-16-7-8-17-10(2)12(15)14(3)11-5-6-13-9-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyIVYFJJSNLQUVPO-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.67
Rot. Bonds7

About 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119552841) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119552841
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCOCCOC(C)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-4-16-7-8-17-10(2)12(15)14(3)11-5-6-13-9-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyIVYFJJSNLQUVPO-UHFFFAOYSA-N
XLogP0.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
N-methyl-2-(oxolan-2-ylmethoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552771
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554242
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119552841) is 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCOCCOC(C)C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is IVYFJJSNLQUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-4-16-7-8-17-10(2)12(15)14(3)11-5-6-13-9-11;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119552841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).