2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

C20H24N2O2 — CID 110413741

IUPAC2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)22-12-11-16(14-22)13-21-20(23)18-5-3-4-6-19(18)24-2/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyOPHIFSZBSFYPIJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.26
Rot. Bonds5

About 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 110413741) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID110413741
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)22-12-11-16(14-22)13-21-20(23)18-5-3-4-6-19(18)24-2/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyOPHIFSZBSFYPIJ-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 46441531
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 125175762
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55621665
1,1-dimethyl-3-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]urea
CID 110640390
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 110413741) is 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is COc1ccccc1C(=O)NCC1CCN(c2ccc(C)cc2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is OPHIFSZBSFYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)22-12-11-16(14-22)13-21-20(23)18-5-3-4-6-19(18)24-2/h3-10,16H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 110413741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).