N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide

C14H20N2O2 — CID 125458149

IUPACN-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
SMILESCON(C)C(=O)c1cccc([C@@H]2CN[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(9-15-10)11-5-4-6-12(8-11)14(17)16(2)18-3/h4-6,8,10,13,15H,7,9H2,1-3H3/t10-,13-/m0/s1
InChIKeyZYKQJHLXUDIJRM-GWCFXTLKSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds3

About N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide

N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide (PubChem CID 125458149) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
PubChem CID125458149
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
SMILESCON(C)C(=O)c1cccc([C@@H]2CN[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(9-15-10)11-5-4-6-12(8-11)14(17)16(2)18-3/h4-6,8,10,13,15H,7,9H2,1-3H3/t10-,13-/m0/s1
InChIKeyZYKQJHLXUDIJRM-GWCFXTLKSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[(3R,5R)-5-methylpyrrolidin-3-yl]benzoate
CID 125457040
3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
CID 161066750
4-(3-ethylphenyl)-2-methylpyrrolidine
CID 126676814
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
CID 87529110
CID 87529110
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540
N-tert-butyl-3-cyclopropyl-N-methylbenzamide
CID 138467117
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
CID 87067779
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
N,N-dimethyl-4-(2-methylpiperidin-4-yl)benzamide;ethane
CID 177354214

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide (CID 125458149) is N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide is CON(C)C(=O)c1cccc([C@@H]2CN[C@@H](C)C2)c1.
What is the InChIKey of N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide?
The InChIKey is ZYKQJHLXUDIJRM-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-13(9-15-10)11-5-4-6-12(8-11)14(17)16(2)18-3/h4-6,8,10,13,15H,7,9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide?
N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125458149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).