3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

C20H25N2O2+ — CID 9142461

IUPAC3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-9-16(13-19)20(23)21-14-17-7-2-3-8-18(17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)/p+1
InChIKeyZEYXXCMOGGIHBA-UHFFFAOYSA-O
MW325.43 g/mol
LogP1.80
Rot. Bonds6

About 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9142461) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID9142461
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-9-16(13-19)20(23)21-14-17-7-2-3-8-18(17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)/p+1
InChIKeyZEYXXCMOGGIHBA-UHFFFAOYSA-O
XLogP1.80
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9142487
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
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3-methyl-4-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8968886
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143473
5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8968923
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide (CID 9142461) is 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide is COc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1.
What is the InChIKey of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is ZEYXXCMOGGIHBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-6-9-16(13-19)20(23)21-14-17-7-2-3-8-18(17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)/p+1.
What are the key properties of 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide?
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 325.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9142461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).