5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide

C15H22N2O2 — CID 70846094

IUPAC5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide
SMILESCOC[C@H]1CCCN1Cc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-12(8-14(11)15(16)18)9-17-7-3-4-13(17)10-19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)/t13-/m1/s1
InChIKeyQACXDWFANUSGAC-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds5

About 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide

5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide (PubChem CID 70846094) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide
PubChem CID70846094
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide
SMILESCOC[C@H]1CCCN1Cc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-12(8-14(11)15(16)18)9-17-7-3-4-13(17)10-19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)/t13-/m1/s1
InChIKeyQACXDWFANUSGAC-CYBMUJFWSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 24826005
N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 90291509
1-[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79546159
4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70764780
4-[4-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 78084914
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572434
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534
2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99947078
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carboxamide
CID 70956699

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide?
The IUPAC name of 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide (CID 70846094) is 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide is COC[C@H]1CCCN1Cc1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide?
The InChIKey is QACXDWFANUSGAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-6-12(8-14(11)15(16)18)9-17-7-3-4-13(17)10-19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)/t13-/m1/s1.
What are the key properties of 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide?
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 70846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).