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

C15H22N2O2 — CID 103808122

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C)CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(8-10-16-11-15)14(18)17-9-7-12-5-3-4-6-13(12)19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18)
InChIKeySHBMOQVTAPJUDH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.35
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 103808122) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID103808122
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C)CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(8-10-16-11-15)14(18)17-9-7-12-5-3-4-6-13(12)19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18)
InChIKeySHBMOQVTAPJUDH-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
CID 72840141
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119690622
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 103808122) is N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide is COc1ccccc1CCNC(=O)C1(C)CCNC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SHBMOQVTAPJUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(8-10-16-11-15)14(18)17-9-7-12-5-3-4-6-13(12)19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103808122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).