N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide

C20H22N2O3 — CID 7255321

IUPACN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-10-8-17(9-11-18)22-14-16(13-20(22)24)21-19(23)12-15-6-4-3-5-7-15/h3-11,16H,2,12-14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyILZPZNXBFGFYAC-INIZCTEOSA-N
MW338.41 g/mol
LogP2.55
Rot. Bonds6

About N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide

N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 7255321) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
PubChem CID7255321
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-10-8-17(9-11-18)22-14-16(13-20(22)24)21-19(23)12-15-6-4-3-5-7-15/h3-11,16H,2,12-14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyILZPZNXBFGFYAC-INIZCTEOSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7255326
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7545606
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide (CID 7255321) is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide is CCOc1ccc(N2C[C@@H](NC(=O)Cc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is ILZPZNXBFGFYAC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-18-10-8-17(9-11-18)22-14-16(13-20(22)24)21-19(23)12-15-6-4-3-5-7-15/h3-11,16H,2,12-14H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 7255321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).