N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

C23H31NO4 — CID 134249280

IUPACN-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NC(C)CO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-17(5)12-25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27)
InChIKeyKHCOSTOLBOIJLU-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.60
Rot. Bonds8

About N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134249280) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134249280
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NC(C)CO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-17(5)12-25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27)
InChIKeyKHCOSTOLBOIJLU-UHFFFAOYSA-N
XLogP3.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide with MolForge

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Related Compounds

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2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
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N-cycloheptyl-2-(3,4-dimethylphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134249280) is N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)NC(C)CO)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is KHCOSTOLBOIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-17(5)12-25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 385.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134249280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).