1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C20H29NO3 — CID 23614663

IUPAC1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCCCCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O
InChIInChI=1S/C20H29NO3/c1-3-4-11-21-14-16(13-20(21)22)15-9-10-18(23-2)19(12-15)24-17-7-5-6-8-17/h9-10,12,16-17H,3-8,11,13-14H2,1-2H3
InChIKeyJYAROCCYXSPCQH-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.13
Rot. Bonds7

About 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 23614663) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID23614663
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCCCCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O
InChIInChI=1S/C20H29NO3/c1-3-4-11-21-14-16(13-20(21)22)15-9-10-18(23-2)19(12-15)24-17-7-5-6-8-17/h9-10,12,16-17H,3-8,11,13-14H2,1-2H3
InChIKeyJYAROCCYXSPCQH-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one
CID 72568143
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10273482
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 10224810

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 23614663) is 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is CCCCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O.
What is the InChIKey of 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is JYAROCCYXSPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-3-4-11-21-14-16(13-20(21)22)15-9-10-18(23-2)19(12-15)24-17-7-5-6-8-17/h9-10,12,16-17H,3-8,11,13-14H2,1-2H3.
What are the key properties of 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 23614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).