(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide

C14H20N2O2 — CID 61164431

IUPAC(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)13-8-5-9-15-13)10-11-18-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyGFWMGHHRPXMQTJ-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 61164431) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
PubChem CID61164431
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)13-8-5-9-15-13)10-11-18-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyGFWMGHHRPXMQTJ-ZDUSSCGKSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119695444
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide (CID 61164431) is (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide is CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is GFWMGHHRPXMQTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(14(17)13-8-5-9-15-13)10-11-18-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61164431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).