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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Related Compounds

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
CID 91793204
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 91790406

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).