2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C21H26N2O2 — CID 45155494

IUPAC2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-18(20)21(24)22-16-19(23-14-8-9-15-23)17-10-4-3-5-11-17/h3-7,10-13,19H,2,8-9,14-16H2,1H3,(H,22,24)
InChIKeyMSVXUEUIRHPERU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.65
Rot. Bonds7

About 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 45155494) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID45155494
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-18(20)21(24)22-16-19(23-14-8-9-15-23)17-10-4-3-5-11-17/h3-7,10-13,19H,2,8-9,14-16H2,1H3,(H,22,24)
InChIKeyMSVXUEUIRHPERU-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42939373

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 45155494) is 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is CCOc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is MSVXUEUIRHPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-18(20)21(24)22-16-19(23-14-8-9-15-23)17-10-4-3-5-11-17/h3-7,10-13,19H,2,8-9,14-16H2,1H3,(H,22,24).
What are the key properties of 2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.65, 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-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 45155494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).