4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide

C17H23FN2O3 — CID 45206506

IUPAC4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-19(2)16(21)6-7-17(22)20-8-9-23-15(12-20)11-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyZYDLOBZNZJBRIB-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.46
Rot. Bonds5

About 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide

4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide (PubChem CID 45206506) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
PubChem CID45206506
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-19(2)16(21)6-7-17(22)20-8-9-23-15(12-20)11-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyZYDLOBZNZJBRIB-UHFFFAOYSA-N
XLogP1.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95555442
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 56877268

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide (CID 45206506) is 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide?
The InChIKey is ZYDLOBZNZJBRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-19(2)16(21)6-7-17(22)20-8-9-23-15(12-20)11-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3.
What are the key properties of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide?
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide has a molecular weight of 322.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 45206506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).