2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide

C23H27FN2O4 — CID 110232963

IUPAC2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H27FN2O4/c1-25(2)22(28)23(16-26(12-13-30-23)21(27)15-29-3)14-18-6-4-5-7-20(18)17-8-10-19(24)11-9-17/h4-11H,12-16H2,1-3H3
InChIKeyPYNMSPAZLDZNBR-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.37
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide

2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 110232963) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
PubChem CID110232963
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H27FN2O4/c1-25(2)22(28)23(16-26(12-13-30-23)21(27)15-29-3)14-18-6-4-5-7-20(18)17-8-10-19(24)11-9-17/h4-11H,12-16H2,1-3H3
InChIKeyPYNMSPAZLDZNBR-UHFFFAOYSA-N
XLogP2.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
CID 110232981
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605696
(2S)-4-(2-methoxyacetyl)-N,N-dimethyl-2-[(4-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605651
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide (CID 110232963) is 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide is COCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is PYNMSPAZLDZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-25(2)22(28)23(16-26(12-13-30-23)21(27)15-29-3)14-18-6-4-5-7-20(18)17-8-10-19(24)11-9-17/h4-11H,12-16H2,1-3H3.
What are the key properties of 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide?
2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 110232963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).