4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

C30H33NO5 — CID 15389201

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESCOc1cccc(COc2cccc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C30H33NO5/c1-33-26-11-5-7-21(15-26)20-35-27-12-6-8-24(18-27)31-19-23(17-30(31)32)22-13-14-28(34-2)29(16-22)36-25-9-3-4-10-25/h5-8,11-16,18,23,25H,3-4,9-10,17,19-20H2,1-2H3
InChIKeyDXYODODSZIQFFT-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.12
Rot. Bonds9

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 15389201) has the molecular formula C30H33NO5 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID15389201
Molecular FormulaC30H33NO5
Molecular Weight487.60 g/mol
Exact Mass487.24
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESCOc1cccc(COc2cccc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C30H33NO5/c1-33-26-11-5-7-21(15-26)20-35-27-12-6-8-24(18-27)31-19-23(17-30(31)32)22-13-14-28(34-2)29(16-22)36-25-9-3-4-10-25/h5-8,11-16,18,23,25H,3-4,9-10,17,19-20H2,1-2H3
InChIKeyDXYODODSZIQFFT-UHFFFAOYSA-N
XLogP6.12
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (CID 15389201) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is COc1cccc(COc2cccc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is DXYODODSZIQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO5/c1-33-26-11-5-7-21(15-26)20-35-27-12-6-8-24(18-27)31-19-23(17-30(31)32)22-13-14-28(34-2)29(16-22)36-25-9-3-4-10-25/h5-8,11-16,18,23,25H,3-4,9-10,17,19-20H2,1-2H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 487.60 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 15389201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).