(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one

C21H23NO4 — CID 134941364

IUPAC(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
SMILESCOc1ccc(COCC(=O)N2C(=O)CC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-25-19-10-7-17(8-11-19)14-26-15-21(24)22-18(9-12-20(22)23)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-15H2,1H3/t18-/m0/s1
InChIKeyPHRSLNYYNZLYFR-SFHVURJKSA-N
MW353.42 g/mol
LogP2.97
Rot. Bonds7

About (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one

(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one (PubChem CID 134941364) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
PubChem CID134941364
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
SMILESCOc1ccc(COCC(=O)N2C(=O)CC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-25-19-10-7-17(8-11-19)14-26-15-21(24)22-18(9-12-20(22)23)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-15H2,1H3/t18-/m0/s1
InChIKeyPHRSLNYYNZLYFR-SFHVURJKSA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one (CID 134941364) is (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one is COc1ccc(COCC(=O)N2C(=O)CC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one?
The InChIKey is PHRSLNYYNZLYFR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-19-10-7-17(8-11-19)14-26-15-21(24)22-18(9-12-20(22)23)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-15H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one?
(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 134941364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).