N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide

C13H19NO4 — CID 43390489

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,9-15)14-12(16)8-18-11-6-4-10(17-3)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyCBDCTOMGZQKZAC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.96
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 43390489) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID43390489
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,9-15)14-12(16)8-18-11-6-4-10(17-3)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyCBDCTOMGZQKZAC-UHFFFAOYSA-N
XLogP0.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110466111
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 43390489) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is CBDCTOMGZQKZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,9-15)14-12(16)8-18-11-6-4-10(17-3)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 43390489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).