(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 124685580

IUPAC(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)[C@@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)13-7-9-16-11-13)10-8-12-5-3-4-6-14(12)19-2/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyCRCQFPCFRGKXIH-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.31
Rot. Bonds5

About (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide

(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 124685580) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID124685580
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)[C@@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)13-7-9-16-11-13)10-8-12-5-3-4-6-14(12)19-2/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyCRCQFPCFRGKXIH-CYBMUJFWSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159073
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate
CID 110626925
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide (CID 124685580) is (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide is COc1ccccc1CCN(C)C(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is CRCQFPCFRGKXIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(15(18)13-7-9-16-11-13)10-8-12-5-3-4-6-14(12)19-2/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide?
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124685580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).