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

C22H26N2O3 — CID 7563275

IUPACN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)CCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-13-11-19(12-14-20)24-16-18(15-22(24)26)23-21(25)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14,18H,2,6,9-10,15-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyKPRAWHYYJZUAMI-SFHVURJKSA-N
MW366.46 g/mol
LogP3.33
Rot. Bonds8

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

N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (PubChem CID 7563275) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
PubChem CID7563275
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)CCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-13-11-19(12-14-20)24-16-18(15-22(24)26)23-21(25)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14,18H,2,6,9-10,15-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyKPRAWHYYJZUAMI-SFHVURJKSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
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
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7545606
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (CID 7563275) is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide is CCOc1ccc(N2C[C@@H](NC(=O)CCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The InChIKey is KPRAWHYYJZUAMI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-20-13-11-19(12-14-20)24-16-18(15-22(24)26)23-21(25)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14,18H,2,6,9-10,15-16H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.33, 8 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]-4-phenylbutanamide is sourced from PubChem (CID 7563275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).