N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide

C14H20N2O2 — CID 115159403

IUPACN-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2CCNC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-9-6-12(7-10(2)13(9)18-3)16-14(17)11-4-5-15-8-11/h6-7,11,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyFQJCZAWGWJLAAC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds3

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

N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 115159403) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID115159403
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2CCNC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-9-6-12(7-10(2)13(9)18-3)16-14(17)11-4-5-15-8-11/h6-7,11,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyFQJCZAWGWJLAAC-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
CID 115159376
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide (CID 115159403) is N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide is COc1c(C)cc(NC(=O)C2CCNC2)cc1C.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FQJCZAWGWJLAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-12(7-10(2)13(9)18-3)16-14(17)11-4-5-15-8-11/h6-7,11,15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).