N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C14H20N2O4 — CID 108503230

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,9-17)16-13(20)12(19)15-8-7-10-3-5-11(18)6-4-10/h3-6,17-18H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyFQPMWLZCJYELRW-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.06
Rot. Bonds5

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503230) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503230
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,9-17)16-13(20)12(19)15-8-7-10-3-5-11(18)6-4-10/h3-6,17-18H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyFQPMWLZCJYELRW-UHFFFAOYSA-N
XLogP-0.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44995791
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 91710848
N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503174
N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108514050
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
CID 67514620
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503230) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is CC(C)(CO)NC(=O)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is FQPMWLZCJYELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,9-17)16-13(20)12(19)15-8-7-10-3-5-11(18)6-4-10/h3-6,17-18H,7-9H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 280.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).