N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide

C23H29N3O3 — CID 16892183

IUPACN'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-19-7-3-4-8-21(19)25-23(28)22(27)24-13-5-6-18-9-11-20(12-10-18)26-14-16-29-17-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyYHPCZUSIEMGBPR-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.77
Rot. Bonds7

About N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide

N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (PubChem CID 16892183) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
PubChem CID16892183
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-19-7-3-4-8-21(19)25-23(28)22(27)24-13-5-6-18-9-11-20(12-10-18)26-14-16-29-17-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyYHPCZUSIEMGBPR-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N'-(2,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891698
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
CID 16891945
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (CID 16892183) is N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is CCc1ccccc1NC(=O)C(=O)NCCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The InChIKey is YHPCZUSIEMGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-19-7-3-4-8-21(19)25-23(28)22(27)24-13-5-6-18-9-11-20(12-10-18)26-14-16-29-17-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide has a molecular weight of 395.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).