N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide

C22H28N2O — CID 35579010

IUPACN-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
SMILESCCc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-3-18-9-11-19(12-10-18)21(24-13-4-5-14-24)16-23-22(25)20-8-6-7-17(2)15-20/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyUMFIIZVRAOPKMB-NRFANRHFSA-N
MW336.48 g/mol
LogP4.12
Rot. Bonds6

About N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide

N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide (PubChem CID 35579010) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
PubChem CID35579010
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
SMILESCCc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-3-18-9-11-19(12-10-18)21(24-13-4-5-14-24)16-23-22(25)20-8-6-7-17(2)15-20/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyUMFIIZVRAOPKMB-NRFANRHFSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide (CID 35579010) is N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide is CCc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide?
The InChIKey is UMFIIZVRAOPKMB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-18-9-11-19(12-10-18)21(24-13-4-5-14-24)16-23-22(25)20-8-6-7-17(2)15-20/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide?
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide has a molecular weight of 336.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 35579010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).