N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide

C21H26N2O3 — CID 55680120

IUPACN-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCCC2c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(24)22-18-9-11-20(12-10-18)26-15-19(25)14-23-13-5-8-21(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21,25H,5,8,13-15H2,1H3,(H,22,24)
InChIKeyRBBPBMGAHDWENW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds7

About N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide (PubChem CID 55680120) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
PubChem CID55680120
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCCC2c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(24)22-18-9-11-20(12-10-18)26-15-19(25)14-23-13-5-8-21(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21,25H,5,8,13-15H2,1H3,(H,22,24)
InChIKeyRBBPBMGAHDWENW-UHFFFAOYSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide (CID 55680120) is N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCCC2c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide?
The InChIKey is RBBPBMGAHDWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(24)22-18-9-11-20(12-10-18)26-15-19(25)14-23-13-5-8-21(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21,25H,5,8,13-15H2,1H3,(H,22,24).
What are the key properties of N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 55680120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).