N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

C19H25FN2O4 — CID 156609816

IUPACN-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)NC1CCOCC1Oc1cccc(F)c1
InChIInChI=1S/C19H25FN2O4/c20-14-4-1-5-15(12-14)26-17-13-25-11-8-16(17)21-18(23)6-2-9-22-10-3-7-19(22)24/h1,4-5,12,16-17H,2-3,6-11,13H2,(H,21,23)
InChIKeyGPFCEGHMBOQFQW-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.88
Rot. Bonds7

About N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 156609816) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID156609816
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC NameN-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)NC1CCOCC1Oc1cccc(F)c1
InChIInChI=1S/C19H25FN2O4/c20-14-4-1-5-15(12-14)26-17-13-25-11-8-16(17)21-18(23)6-2-9-22-10-3-7-19(22)24/h1,4-5,12,16-17H,2-3,6-11,13H2,(H,21,23)
InChIKeyGPFCEGHMBOQFQW-UHFFFAOYSA-N
XLogP1.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 156609816) is N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is O=C(CCCN1CCCC1=O)NC1CCOCC1Oc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is GPFCEGHMBOQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c20-14-4-1-5-15(12-14)26-17-13-25-11-8-16(17)21-18(23)6-2-9-22-10-3-7-19(22)24/h1,4-5,12,16-17H,2-3,6-11,13H2,(H,21,23).
What are the key properties of N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 364.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 156609816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).