2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

C22H29ClN2O2 — CID 52985319

IUPAC2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCC(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-3-26-21-9-5-4-8-19(21)22(25)23-16-20(24-14-6-7-15-24)18-12-10-17(2)11-13-18;/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,23,25);1H
InChIKeyRWHALWGUZLZCLT-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.38
Rot. Bonds7

About 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (PubChem CID 52985319) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
PubChem CID52985319
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCC(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-3-26-21-9-5-4-8-19(21)22(25)23-16-20(24-14-6-7-15-24)18-12-10-17(2)11-13-18;/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,23,25);1H
InChIKeyRWHALWGUZLZCLT-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (CID 52985319) is 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is CCOc1ccccc1C(=O)NCC(c1ccc(C)cc1)N1CCCC1.Cl.
What is the InChIKey of 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The InChIKey is RWHALWGUZLZCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-3-26-21-9-5-4-8-19(21)22(25)23-16-20(24-14-6-7-15-24)18-12-10-17(2)11-13-18;/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is sourced from PubChem (CID 52985319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).