N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide

C24H29N3O4 — CID 16895016

IUPACN'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C24H29N3O4/c1-17-13-18(2)15-20(14-17)26-24(30)23(29)25-10-6-9-22(28)27-11-12-31-21(16-27)19-7-4-3-5-8-19/h3-5,7-8,13-15,21H,6,9-12,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUZBNASIDCKMFDK-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.74
Rot. Bonds6

About N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide

N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide (PubChem CID 16895016) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
PubChem CID16895016
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C24H29N3O4/c1-17-13-18(2)15-20(14-17)26-24(30)23(29)25-10-6-9-22(28)27-11-12-31-21(16-27)19-7-4-3-5-8-19/h3-5,7-8,13-15,21H,6,9-12,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUZBNASIDCKMFDK-UHFFFAOYSA-N
XLogP2.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.74
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-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide (CID 16895016) is N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The InChIKey is UZBNASIDCKMFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-13-18(2)15-20(14-17)26-24(30)23(29)25-10-6-9-22(28)27-11-12-31-21(16-27)19-7-4-3-5-8-19/h3-5,7-8,13-15,21H,6,9-12,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide has a molecular weight of 423.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide is sourced from PubChem (CID 16895016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).