N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide

C13H18N2O2 — CID 102776806

IUPACN-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1NCCC1C
InChIInChI=1S/C13H18N2O2/c1-9-7-8-14-12(9)13(16)15-10-5-3-4-6-11(10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyIBOYTANSUQPQQN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds3

About N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide

N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102776806) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102776806
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1NCCC1C
InChIInChI=1S/C13H18N2O2/c1-9-7-8-14-12(9)13(16)15-10-5-3-4-6-11(10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyIBOYTANSUQPQQN-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855
3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
N-(2-methoxyphenyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147403
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102776806) is N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide is COc1ccccc1NC(=O)C1NCCC1C.
What is the InChIKey of N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is IBOYTANSUQPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-8-14-12(9)13(16)15-10-5-3-4-6-11(10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102776806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).