4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O2 — CID 61213616

IUPAC4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-12(7-5-10)11(2)17-15(18)14-8-13(19-3)9-16-14/h4-7,11,13-14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyLKWOCFIPOGJCAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.55
Rot. Bonds4

About 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61213616) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID61213616
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-12(7-5-10)11(2)17-15(18)14-8-13(19-3)9-16-14/h4-7,11,13-14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyLKWOCFIPOGJCAY-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213451
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 112703598
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214522
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 61213616) is 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2ccc(C)cc2)C1.
What is the InChIKey of 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LKWOCFIPOGJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-6-12(7-5-10)11(2)17-15(18)14-8-13(19-3)9-16-14/h4-7,11,13-14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61213616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).