5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one

C19H29FN2O2 — CID 45175084

IUPAC5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
SMILESCC(C)OCCCN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C19H29FN2O2/c1-15(2)24-12-4-11-22-18(7-8-19(22)23)9-10-21-14-16-5-3-6-17(20)13-16/h3,5-6,13,15,18,21H,4,7-12,14H2,1-2H3
InChIKeyIUIUVJONUXBNMW-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.11
Rot. Bonds10

About 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one

5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one (PubChem CID 45175084) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
PubChem CID45175084
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
SMILESCC(C)OCCCN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C19H29FN2O2/c1-15(2)24-12-4-11-22-18(7-8-19(22)23)9-10-21-14-16-5-3-6-17(20)13-16/h3,5-6,13,15,18,21H,4,7-12,14H2,1-2H3
InChIKeyIUIUVJONUXBNMW-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one (CID 45175084) is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one is CC(C)OCCCN1C(=O)CCC1CCNCc1cccc(F)c1.
What is the InChIKey of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The InChIKey is IUIUVJONUXBNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-15(2)24-12-4-11-22-18(7-8-19(22)23)9-10-21-14-16-5-3-6-17(20)13-16/h3,5-6,13,15,18,21H,4,7-12,14H2,1-2H3.
What are the key properties of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one has a molecular weight of 336.45 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 45175084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).