N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

C16H23N3O4 — CID 108503044

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23N3O4/c20-14-3-1-13(2-4-14)5-6-17-15(21)16(22)18-7-8-19-9-11-23-12-10-19/h1-4,20H,5-12H2,(H,17,21)(H,18,22)
InChIKeyWCYQONMEDWOAEK-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.50
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 108503044) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID108503044
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23N3O4/c20-14-3-1-13(2-4-14)5-6-17-15(21)16(22)18-7-8-19-9-11-23-12-10-19/h1-4,20H,5-12H2,(H,17,21)(H,18,22)
InChIKeyWCYQONMEDWOAEK-UHFFFAOYSA-N
XLogP-0.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea
CID 46800433
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 108503044) is N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is O=C(NCCc1ccc(O)cc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is WCYQONMEDWOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-14-3-1-13(2-4-14)5-6-17-15(21)16(22)18-7-8-19-9-11-23-12-10-19/h1-4,20H,5-12H2,(H,17,21)(H,18,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 321.38 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 108503044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).