3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C21H26N2O2 — CID 35133193

IUPAC3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-8-10-17(11-9-16)20(23-12-3-4-13-23)15-22-21(24)18-6-5-7-19(14-18)25-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyWSPFPHWIXOFNET-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.57
Rot. Bonds6

About 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 35133193) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID35133193
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-8-10-17(11-9-16)20(23-12-3-4-13-23)15-22-21(24)18-6-5-7-19(14-18)25-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyWSPFPHWIXOFNET-HXUWFJFHSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 35133193) is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is WSPFPHWIXOFNET-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-8-10-17(11-9-16)20(23-12-3-4-13-23)15-22-21(24)18-6-5-7-19(14-18)25-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 35133193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).