N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide

C15H22N2O3 — CID 63714118

IUPACN-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CNCC2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-9-5-13(19-3)14(20-4)6-12(9)17-15(18)11-8-16-7-10(11)2/h5-6,10-11,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyLGYHQCSTIOZHCY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.81
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714118) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63714118
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CNCC2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-9-5-13(19-3)14(20-4)6-12(9)17-15(18)11-8-16-7-10(11)2/h5-6,10-11,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyLGYHQCSTIOZHCY-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63716109
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
N-(2-methoxy-5-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714092
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide (CID 63714118) is N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide is COc1cc(C)c(NC(=O)C2CNCC2C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is LGYHQCSTIOZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-13(19-3)14(20-4)6-12(9)17-15(18)11-8-16-7-10(11)2/h5-6,10-11,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).