N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide

C14H20N2O2 — CID 110851630

IUPACN-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2C)cc1
InChIInChI=1S/C14H20N2O2/c1-16-9-3-4-13(16)14(17)15-10-11-5-7-12(18-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyQAOJHRRYXFWTBN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 110851630) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID110851630
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2C)cc1
InChIInChI=1S/C14H20N2O2/c1-16-9-3-4-13(16)14(17)15-10-11-5-7-12(18-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyQAOJHRRYXFWTBN-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 146358139
N-[(4-methoxyphenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 162987527
1-methyl-N-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144650708
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 152504880
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide (CID 110851630) is N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCCN2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is QAOJHRRYXFWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-3-4-13(16)14(17)15-10-11-5-7-12(18-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110851630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).