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

C23H30N2O2 — CID 35672261

IUPAC3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1cccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-3-18-10-12-19(13-11-18)22(25-14-5-6-15-25)17-24-23(26)20-8-7-9-21(16-20)27-4-2/h7-13,16,22H,3-6,14-15,17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyYBKXVGSQKPFJTC-QFIPXVFZSA-N
MW366.51 g/mol
LogP4.21
Rot. Bonds8

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

3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 35672261) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID35672261
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1cccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-3-18-10-12-19(13-11-18)22(25-14-5-6-15-25)17-24-23(26)20-8-7-9-21(16-20)27-4-2/h7-13,16,22H,3-6,14-15,17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyYBKXVGSQKPFJTC-QFIPXVFZSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 35579010
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
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
3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43843143
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 35672261) is 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is CCOc1cccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N2CCCC2)c1.
What is the InChIKey of 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is YBKXVGSQKPFJTC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-18-10-12-19(13-11-18)22(25-14-5-6-15-25)17-24-23(26)20-8-7-9-21(16-20)27-4-2/h7-13,16,22H,3-6,14-15,17H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 35672261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).