N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide

C22H26FN3O3 — CID 16893037

IUPACN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28)
InChIKeyFSYHTSMGKZMZQZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.02
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (PubChem CID 16893037) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
PubChem CID16893037
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28)
InChIKeyFSYHTSMGKZMZQZ-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (CID 16893037) is N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The InChIKey is FSYHTSMGKZMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide has a molecular weight of 399.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide is sourced from PubChem (CID 16893037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).