N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide

C24H29N3O4 — CID 16895045

IUPACN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H29N3O4/c28-22(27-16-17-31-21(18-27)20-10-5-2-6-11-20)12-7-14-25-23(29)24(30)26-15-13-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyUEAPDWBMNCGKSC-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.84
Rot. Bonds8

About N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide

N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide (PubChem CID 16895045) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
PubChem CID16895045
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H29N3O4/c28-22(27-16-17-31-21(18-27)20-10-5-2-6-11-20)12-7-14-25-23(29)24(30)26-15-13-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyUEAPDWBMNCGKSC-UHFFFAOYSA-N
XLogP1.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.84
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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Related Compounds

N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide?
The IUPAC name of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide (CID 16895045) is N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide.
What is the SMILES notation for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide?
The canonical SMILES for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide is O=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide?
The InChIKey is UEAPDWBMNCGKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-22(27-16-17-31-21(18-27)20-10-5-2-6-11-20)12-7-14-25-23(29)24(30)26-15-13-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,25,29)(H,26,30).
What are the key properties of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide?
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide has a molecular weight of 423.51 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide is sourced from PubChem (CID 16895045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).