N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide

C23H28FN3O3 — CID 27536728

IUPACN'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1F
InChIInChI=1S/C23H28FN3O3/c1-17-9-10-19(15-20(17)24)26-23(29)22(28)25-11-5-6-12-27-13-14-30-21(16-27)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyDQACSSAWCJIFCV-NRFANRHFSA-N
MW413.49 g/mol
LogP3.04
Rot. Bonds7

About N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide (PubChem CID 27536728) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide
PubChem CID27536728
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1F
InChIInChI=1S/C23H28FN3O3/c1-17-9-10-19(15-20(17)24)26-23(29)22(28)25-11-5-6-12-27-13-14-30-21(16-27)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyDQACSSAWCJIFCV-NRFANRHFSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.04
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'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide (CID 27536728) is N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide?
The InChIKey is DQACSSAWCJIFCV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-17-9-10-19(15-20(17)24)26-23(29)22(28)25-11-5-6-12-27-13-14-30-21(16-27)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide has a molecular weight of 413.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]oxamide is sourced from PubChem (CID 27536728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).