1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one

C20H23NO4 — CID 39992148

IUPAC1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OCCCOc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-8-10-18(11-9-17)24-13-4-14-25-19-6-2-5-16(15-19)21-12-3-7-20(21)22/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3
InChIKeyBLECEGSPKSCIDC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds8

About 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one

1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one (PubChem CID 39992148) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
PubChem CID39992148
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OCCCOc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-8-10-18(11-9-17)24-13-4-14-25-19-6-2-5-16(15-19)21-12-3-7-20(21)22/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3
InChIKeyBLECEGSPKSCIDC-UHFFFAOYSA-N
XLogP3.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
CID 79577774
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100580583

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one (CID 39992148) is 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one is COc1ccc(OCCCOc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one?
The InChIKey is BLECEGSPKSCIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-8-10-18(11-9-17)24-13-4-14-25-19-6-2-5-16(15-19)21-12-3-7-20(21)22/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3.
What are the key properties of 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one?
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 39992148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).