N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide

C17H24N2O3 — CID 7548852

IUPACN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-5-6-16(20)18-13-11-17(21)19(12-13)14-7-9-15(10-8-14)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyXUOLBVKJYJFUPL-CYBMUJFWSA-N
MW304.39 g/mol
LogP2.50
Rot. Bonds7

About N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide (PubChem CID 7548852) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
PubChem CID7548852
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-5-6-16(20)18-13-11-17(21)19(12-13)14-7-9-15(10-8-14)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyXUOLBVKJYJFUPL-CYBMUJFWSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255328

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide (CID 7548852) is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide.
What is the SMILES notation for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The canonical SMILES for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide is CCCCC(=O)N[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1.
What is the InChIKey of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The InChIKey is XUOLBVKJYJFUPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-6-16(20)18-13-11-17(21)19(12-13)14-7-9-15(10-8-14)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide has a molecular weight of 304.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 7548852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).