5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one

C21H26N2O2 — CID 167864615

IUPAC5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(NCCCCCOc3ccccc3)c2)N1
InChIInChI=1S/C21H26N2O2/c24-21-13-12-20(23-21)17-8-7-9-18(16-17)22-14-5-2-6-15-25-19-10-3-1-4-11-19/h1,3-4,7-11,16,20,22H,2,5-6,12-15H2,(H,23,24)
InChIKeyGGYOYUOAIBQMRP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds9

About 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one

5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one (PubChem CID 167864615) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one
PubChem CID167864615
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(NCCCCCOc3ccccc3)c2)N1
InChIInChI=1S/C21H26N2O2/c24-21-13-12-20(23-21)17-8-7-9-18(16-17)22-14-5-2-6-15-25-19-10-3-1-4-11-19/h1,3-4,7-11,16,20,22H,2,5-6,12-15H2,(H,23,24)
InChIKeyGGYOYUOAIBQMRP-UHFFFAOYSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxyacetamide
CID 167939156
5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 167948941
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]pyrrolidin-2-one
CID 167950434
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
methyl 3-(3-phenoxypropylamino)benzoate
CID 82096562
5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 146104611
tert-butyl 6-[3-(2,7-dioxoazepan-3-yl)anilino]hexanoate
CID 175638791
3,5-dimethyl-N-(4-phenoxybutyl)aniline
CID 82096327
7-(3-methoxyphenyl)azepan-2-one
CID 12665502

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one (CID 167864615) is 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one is O=C1CCC(c2cccc(NCCCCCOc3ccccc3)c2)N1.
What is the InChIKey of 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one?
The InChIKey is GGYOYUOAIBQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21-13-12-20(23-21)17-8-7-9-18(16-17)22-14-5-2-6-15-25-19-10-3-1-4-11-19/h1,3-4,7-11,16,20,22H,2,5-6,12-15H2,(H,23,24).
What are the key properties of 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one?
5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167864615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).