2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane

C16H27NO3 — CID 90980292

IUPAC2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
SMILESCCC.Cc1cc(OCC(=O)NCC(C)C)ccc1O
InChIInChI=1S/C13H19NO3.C3H8/c1-9(2)7-14-13(16)8-17-11-4-5-12(15)10(3)6-11;1-3-2/h4-6,9,15H,7-8H2,1-3H3,(H,14,16);3H2,1-2H3
InChIKeyCCYFHUUPAYORCY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane

2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane (PubChem CID 90980292) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
PubChem CID90980292
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
SMILESCCC.Cc1cc(OCC(=O)NCC(C)C)ccc1O
InChIInChI=1S/C13H19NO3.C3H8/c1-9(2)7-14-13(16)8-17-11-4-5-12(15)10(3)6-11;1-3-2/h4-6,9,15H,7-8H2,1-3H3,(H,14,16);3H2,1-2H3
InChIKeyCCYFHUUPAYORCY-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 65219294

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane?
The IUPAC name of 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane (CID 90980292) is 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane.
What is the SMILES notation for 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane?
The canonical SMILES for 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane is CCC.Cc1cc(OCC(=O)NCC(C)C)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane?
The InChIKey is CCYFHUUPAYORCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.C3H8/c1-9(2)7-14-13(16)8-17-11-4-5-12(15)10(3)6-11;1-3-2/h4-6,9,15H,7-8H2,1-3H3,(H,14,16);3H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane?
2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane has a molecular weight of 281.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane is sourced from PubChem (CID 90980292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).