N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C16H24N2O3 — CID 108503174

IUPACN'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCN(C(=O)C(=O)NCCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-18(16(2,3)4)15(21)14(20)17-11-10-12-6-8-13(19)9-7-12/h6-9,19H,5,10-11H2,1-4H3,(H,17,20)
InChIKeySBMYPKCBFLFFEE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.70
Rot. Bonds4

About N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503174) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503174
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCN(C(=O)C(=O)NCCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-18(16(2,3)4)15(21)14(20)17-11-10-12-6-8-13(19)9-7-12/h6-9,19H,5,10-11H2,1-4H3,(H,17,20)
InChIKeySBMYPKCBFLFFEE-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 91710848
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
CID 67514620
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503174) is N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide is CCN(C(=O)C(=O)NCCc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is SBMYPKCBFLFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(16(2,3)4)15(21)14(20)17-11-10-12-6-8-13(19)9-7-12/h6-9,19H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).