2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C16H25NO4 — CID 103945438

IUPAC2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCOc1ccc(OCC(=O)NC(C)(CC)CCO)cc1
InChIInChI=1S/C16H25NO4/c1-4-16(3,10-11-18)17-15(19)12-21-14-8-6-13(7-9-14)20-5-2/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyGQRGPHRUAMRFAN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.13
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 103945438) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID103945438
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCOc1ccc(OCC(=O)NC(C)(CC)CCO)cc1
InChIInChI=1S/C16H25NO4/c1-4-16(3,10-11-18)17-15(19)12-21-14-8-6-13(7-9-14)20-5-2/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyGQRGPHRUAMRFAN-UHFFFAOYSA-N
XLogP2.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945468
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103945627
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
CID 106330938
N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 103945749
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 115869814
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
CID 110002569

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 103945438) is 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCOc1ccc(OCC(=O)NC(C)(CC)CCO)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is GQRGPHRUAMRFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-16(3,10-11-18)17-15(19)12-21-14-8-6-13(7-9-14)20-5-2/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103945438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).