N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide

C23H27N3O4 — CID 30851199

IUPACN-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16(2)17-8-10-19(11-9-17)25-23(29)22(28)24-14-21(27)26-12-13-30-20(15-26)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)(H,25,29)/t20-/m0/s1
InChIKeyKPYGCZKYGDCEPX-FQEVSTJZSA-N
MW409.49 g/mol
LogP2.46
Rot. Bonds5

About N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 30851199) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID30851199
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16(2)17-8-10-19(11-9-17)25-23(29)22(28)24-14-21(27)26-12-13-30-20(15-26)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)(H,25,29)/t20-/m0/s1
InChIKeyKPYGCZKYGDCEPX-FQEVSTJZSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27375947
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851180
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-4-propan-2-ylbenzenesulfonamide
CID 16895203
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 30851199) is N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is KPYGCZKYGDCEPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16(2)17-8-10-19(11-9-17)25-23(29)22(28)24-14-21(27)26-12-13-30-20(15-26)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)(H,25,29)/t20-/m0/s1.
What are the key properties of N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 409.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 30851199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).