3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide

C24H30N2O5 — CID 125156631

IUPAC3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide
SMILESCOc1cccc(OC[C@H](O)CNC(=O)CC[C@@]2(Cc3ccccc3)CCC(=O)N2)c1
InChIInChI=1S/C24H30N2O5/c1-30-20-8-5-9-21(14-20)31-17-19(27)16-25-22(28)10-12-24(13-11-23(29)26-24)15-18-6-3-2-4-7-18/h2-9,14,19,27H,10-13,15-17H2,1H3,(H,25,28)(H,26,29)/t19-,24+/m1/s1
InChIKeyPIRMBNWYJNGKFC-DVECYGJZSA-N
MW426.51 g/mol
LogP2.22
Rot. Bonds11

About 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide

3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide (PubChem CID 125156631) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide
PubChem CID125156631
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide
SMILESCOc1cccc(OC[C@H](O)CNC(=O)CC[C@@]2(Cc3ccccc3)CCC(=O)N2)c1
InChIInChI=1S/C24H30N2O5/c1-30-20-8-5-9-21(14-20)31-17-19(27)16-25-22(28)10-12-24(13-11-23(29)26-24)15-18-6-3-2-4-7-18/h2-9,14,19,27H,10-13,15-17H2,1H3,(H,25,28)(H,26,29)/t19-,24+/m1/s1
InChIKeyPIRMBNWYJNGKFC-DVECYGJZSA-N
XLogP2.22
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42424462
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 26355431
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42321392
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[2-(furan-2-yl)ethyl]-3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26397502
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
N-benzyl-3-[2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]propanamide
CID 45172145
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
N-[(5-chlorothiophen-2-yl)methyl]-3-[(2S)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26358045
(5R)-5-[3-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 98336017

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide?
The IUPAC name of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide (CID 125156631) is 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide?
The canonical SMILES for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide is COc1cccc(OC[C@H](O)CNC(=O)CC[C@@]2(Cc3ccccc3)CCC(=O)N2)c1.
What is the InChIKey of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide?
The InChIKey is PIRMBNWYJNGKFC-DVECYGJZSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-30-20-8-5-9-21(14-20)31-17-19(27)16-25-22(28)10-12-24(13-11-23(29)26-24)15-18-6-3-2-4-7-18/h2-9,14,19,27H,10-13,15-17H2,1H3,(H,25,28)(H,26,29)/t19-,24+/m1/s1.
What are the key properties of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide?
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide has a molecular weight of 426.51 g/mol, XLogP of 2.22, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide is sourced from PubChem (CID 125156631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).