N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide

C12H24N2O3 — CID 115626529

IUPACN-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCCCNC(=O)C1CCCN1
InChIInChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-6-14-12(15)11-5-4-7-13-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyAMODOPKQURFXFR-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.30
Rot. Bonds9

About N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide

N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide (PubChem CID 115626529) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
PubChem CID115626529
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCCCNC(=O)C1CCCN1
InChIInChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-6-14-12(15)11-5-4-7-13-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyAMODOPKQURFXFR-UHFFFAOYSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.30
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

(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119274167

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide (CID 115626529) is N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide is COCCOCCCCNC(=O)C1CCCN1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide?
The InChIKey is AMODOPKQURFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-6-14-12(15)11-5-4-7-13-11/h11,13H,2-10H2,1H3,(H,14,15).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide?
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115626529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).