3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide

C18H23FN2O4 — CID 91954385

IUPAC3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CO)CCC2)C1c1ccccc1F
InChIInChI=1S/C18H23FN2O4/c1-21-14(23)9-25-16(15(21)12-5-2-3-6-13(12)19)17(24)20-10-18(11-22)7-4-8-18/h2-3,5-6,15-16,22H,4,7-11H2,1H3,(H,20,24)
InChIKeyYSRMTZASGJQVMT-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.00
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide

3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 91954385) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID91954385
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CO)CCC2)C1c1ccccc1F
InChIInChI=1S/C18H23FN2O4/c1-21-14(23)9-25-16(15(21)12-5-2-3-6-13(12)19)17(24)20-10-18(11-22)7-4-8-18/h2-3,5-6,15-16,22H,4,7-11H2,1H3,(H,20,24)
InChIKeyYSRMTZASGJQVMT-UHFFFAOYSA-N
XLogP1.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954491
(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739766
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739787
(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
CID 95739849
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882824
4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
CID 91957637
(2S,3R)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 156586890
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91957461
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134710294
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide (CID 91954385) is 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)COC(C(=O)NCC2(CO)CCC2)C1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is YSRMTZASGJQVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-21-14(23)9-25-16(15(21)12-5-2-3-6-13(12)19)17(24)20-10-18(11-22)7-4-8-18/h2-3,5-6,15-16,22H,4,7-11H2,1H3,(H,20,24).
What are the key properties of 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 91954385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).