N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide

C12H24N2O3 — CID 114243074

IUPACN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide
SMILESCN(CCOCCO)C(=O)CCC1CCNC1
InChIInChI=1S/C12H24N2O3/c1-14(6-8-17-9-7-15)12(16)3-2-11-4-5-13-10-11/h11,13,15H,2-10H2,1H3
InChIKeyIQFOEWVGGDZWBS-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.16
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide

N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide (PubChem CID 114243074) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide
PubChem CID114243074
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide
SMILESCN(CCOCCO)C(=O)CCC1CCNC1
InChIInChI=1S/C12H24N2O3/c1-14(6-8-17-9-7-15)12(16)3-2-11-4-5-13-10-11/h11,13,15H,2-10H2,1H3
InChIKeyIQFOEWVGGDZWBS-UHFFFAOYSA-N
XLogP-0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-pyrrolidin-3-ylpropanamide
CID 103859917
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
CID 103206908
N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243071
3-(1-acetylpiperidin-4-yl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 75399323

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide (CID 114243074) is N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide is CN(CCOCCO)C(=O)CCC1CCNC1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide?
The InChIKey is IQFOEWVGGDZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-14(6-8-17-9-7-15)12(16)3-2-11-4-5-13-10-11/h11,13,15H,2-10H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide?
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide has a molecular weight of 244.33 g/mol, XLogP of -0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 114243074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).