N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide

C10H20N2O4 — CID 61276211

IUPACN-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCOCCO)C1
InChIInChI=1S/C10H20N2O4/c1-15-8-6-9(12-7-8)10(14)11-2-4-16-5-3-13/h8-9,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyUSLXIASSTBUDPD-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.51
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61276211) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61276211
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCOCCO)C1
InChIInChI=1S/C10H20N2O4/c1-15-8-6-9(12-7-8)10(14)11-2-4-16-5-3-13/h8-9,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyUSLXIASSTBUDPD-UHFFFAOYSA-N
XLogP-1.51
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 103833077
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61276211) is N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCOCCO)C1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is USLXIASSTBUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-15-8-6-9(12-7-8)10(14)11-2-4-16-5-3-13/h8-9,12-13H,2-7H2,1H3,(H,11,14).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of -1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61276211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).