N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide

C22H28N2O2 — CID 18425364

IUPACN-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide
SMILESCCN1CCCC1COc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-24-16-8-12-20(24)17-26-21-13-7-6-9-18(21)14-15-23-22(25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3,(H,23,25)
InChIKeyDMYXYBGAHQJICG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.52
Rot. Bonds8

About N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide

N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide (PubChem CID 18425364) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide
PubChem CID18425364
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide
SMILESCCN1CCCC1COc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-24-16-8-12-20(24)17-26-21-13-7-6-9-18(21)14-15-23-22(25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3,(H,23,25)
InChIKeyDMYXYBGAHQJICG-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
2-[[[2-(2-chlorophenyl)ethylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111842536
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide (CID 18425364) is N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide is CCN1CCCC1COc1ccccc1CCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide?
The InChIKey is DMYXYBGAHQJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-24-16-8-12-20(24)17-26-21-13-7-6-9-18(21)14-15-23-22(25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide?
N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide is sourced from PubChem (CID 18425364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).