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

C21H32N4O4 — CID 16892160

IUPACN'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32N4O4/c26-20(21(27)23-8-9-24-10-14-28-15-11-24)22-7-1-2-18-3-5-19(6-4-18)25-12-16-29-17-13-25/h3-6H,1-2,7-17H2,(H,22,26)(H,23,27)
InChIKeyITUOEJCYPRBXER-UHFFFAOYSA-N
MW404.51 g/mol
LogP0.02
Rot. Bonds8

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

N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (PubChem CID 16892160) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
PubChem CID16892160
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC NameN'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32N4O4/c26-20(21(27)23-8-9-24-10-14-28-15-11-24)22-7-1-2-18-3-5-19(6-4-18)25-12-16-29-17-13-25/h3-6H,1-2,7-17H2,(H,22,26)(H,23,27)
InChIKeyITUOEJCYPRBXER-UHFFFAOYSA-N
XLogP0.02
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (CID 16892160) is N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is O=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The InChIKey is ITUOEJCYPRBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c26-20(21(27)23-8-9-24-10-14-28-15-11-24)22-7-1-2-18-3-5-19(6-4-18)25-12-16-29-17-13-25/h3-6H,1-2,7-17H2,(H,22,26)(H,23,27).
What are the key properties of N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide has a molecular weight of 404.51 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).