N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide

C15H22N2O2 — CID 115159376

IUPACN-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2CCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-9-7-13(10(2)11(3)14(9)19-4)17-15(18)12-5-6-16-8-12/h7,12,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyYXJAFQCIAXIMKF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds3

About N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide

N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 115159376) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID115159376
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2CCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-9-7-13(10(2)11(3)14(9)19-4)17-15(18)12-5-6-16-8-12/h7,12,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyYXJAFQCIAXIMKF-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 115159403
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide (CID 115159376) is N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide is COc1c(C)cc(NC(=O)C2CCNC2)c(C)c1C.
What is the InChIKey of N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YXJAFQCIAXIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-7-13(10(2)11(3)14(9)19-4)17-15(18)12-5-6-16-8-12/h7,12,16H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide?
N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).