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

C15H22N2O5 — CID 108531227

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O5/c1-15(2,10-18)17-14(20)13(19)16-8-9-22-12-6-4-11(21-3)5-7-12/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeySYIWBUOMCSHSRR-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.08
Rot. Bonds7

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

N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (PubChem CID 108531227) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
PubChem CID108531227
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O5/c1-15(2,10-18)17-14(20)13(19)16-8-9-22-12-6-4-11(21-3)5-7-12/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeySYIWBUOMCSHSRR-UHFFFAOYSA-N
XLogP0.08
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529800
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881485
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529375
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (CID 108531227) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is COc1ccc(OCCNC(=O)C(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The InChIKey is SYIWBUOMCSHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,10-18)17-14(20)13(19)16-8-9-22-12-6-4-11(21-3)5-7-12/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide has a molecular weight of 310.35 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is sourced from PubChem (CID 108531227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).