4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O2 — CID 79748999

IUPAC4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2ccccc2C)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-12(11)7-8-16-15(18)14-9-13(19-2)10-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyIXYKUAWWQAYZSH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.03
Rot. Bonds5

About 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 79748999) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID79748999
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2ccccc2C)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-12(11)7-8-16-15(18)14-9-13(19-2)10-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyIXYKUAWWQAYZSH-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
4-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 106397734
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
6-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-2-carboxamide
CID 79749385
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 79748999) is 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCc2ccccc2C)C1.
What is the InChIKey of 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is IXYKUAWWQAYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-4-6-12(11)7-8-16-15(18)14-9-13(19-2)10-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79748999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).