N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide

C18H25FN2O3 — CID 56911914

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-15-3-1-2-14(10-15)18(4-7-23-8-5-18)13-21-17(22)11-16-12-24-9-6-20-16/h1-3,10,16,20H,4-9,11-13H2,(H,21,22)
InChIKeyNVQCJOZQSTZPMT-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.37
Rot. Bonds5

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide (PubChem CID 56911914) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
PubChem CID56911914
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-15-3-1-2-14(10-15)18(4-7-23-8-5-18)13-21-17(22)11-16-12-24-9-6-20-16/h1-3,10,16,20H,4-9,11-13H2,(H,21,22)
InChIKeyNVQCJOZQSTZPMT-UHFFFAOYSA-N
XLogP1.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
CID 81130635
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 70711050
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide (CID 56911914) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide?
The InChIKey is NVQCJOZQSTZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-15-3-1-2-14(10-15)18(4-7-23-8-5-18)13-21-17(22)11-16-12-24-9-6-20-16/h1-3,10,16,20H,4-9,11-13H2,(H,21,22).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide has a molecular weight of 336.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56911914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).