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

C22H27N3O4 — CID 16892181

IUPACN'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-28-20-6-2-5-18(16-20)24-22(27)21(26)23-11-3-4-17-7-9-19(10-8-17)25-12-14-29-15-13-25/h2,5-10,16H,3-4,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyRHUKJJSUDLBTOQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.22
Rot. Bonds7

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

N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (PubChem CID 16892181) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
PubChem CID16892181
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-28-20-6-2-5-18(16-20)24-22(27)21(26)23-11-3-4-17-7-9-19(10-8-17)25-12-14-29-15-13-25/h2,5-10,16H,3-4,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyRHUKJJSUDLBTOQ-UHFFFAOYSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
N'-(3-fluorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891835
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891849
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide (CID 16892181) is N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is COc1cccc(NC(=O)C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
The InChIKey is RHUKJJSUDLBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-20-6-2-5-18(16-20)24-22(27)21(26)23-11-3-4-17-7-9-19(10-8-17)25-12-14-29-15-13-25/h2,5-10,16H,3-4,11-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide?
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide has a molecular weight of 397.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).