N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide

C25H26N2O2 — CID 41095172

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-15-16-27(18-22)17-20-9-3-1-4-10-20)19-29-24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,26,28)/t22-/m0/s1
InChIKeyPQESSJIZBKZKJH-QFIPXVFZSA-N
MW386.50 g/mol
LogP4.12
Rot. Bonds7

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide (PubChem CID 41095172) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
PubChem CID41095172
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-15-16-27(18-22)17-20-9-3-1-4-10-20)19-29-24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,26,28)/t22-/m0/s1
InChIKeyPQESSJIZBKZKJH-QFIPXVFZSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 24598910
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
2-(2-phenylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424815
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide (CID 41095172) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide?
The InChIKey is PQESSJIZBKZKJH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(26-22-15-16-27(18-22)17-20-9-3-1-4-10-20)19-29-24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 41095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).