2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide

C24H33NO3 — CID 155546145

IUPAC2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1
InChIInChI=1S/C24H33NO3/c1-6-12-24(13-7-2,19-8-10-21(26)17(3)14-19)20-9-11-22(18(4)15-20)28-16-23(27)25-5/h8-11,14-15,26H,6-7,12-13,16H2,1-5H3,(H,25,27)
InChIKeyRBGXCIRQNQWJEX-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.02
Rot. Bonds9

About 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide

2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide (PubChem CID 155546145) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
PubChem CID155546145
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1
InChIInChI=1S/C24H33NO3/c1-6-12-24(13-7-2,19-8-10-21(26)17(3)14-19)20-9-11-22(18(4)15-20)28-16-23(27)25-5/h8-11,14-15,26H,6-7,12-13,16H2,1-5H3,(H,25,27)
InChIKeyRBGXCIRQNQWJEX-UHFFFAOYSA-N
XLogP5.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Hydroxy-2-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}acetamide
CID 60167574
N-Hydroxy-2-{4-[3-(4-{[(2s)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}acetamide
CID 60167573
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N,N-diethyl-
CID 86318
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
N-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}-2-propen-1-amine oxalate
CID 2923326
4-[4-[4-[2-(Dimethylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 137658509
4-[4-[4-(2-Aminoethoxy)-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145951019
4-[4-[4-[2-(Decylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145954397
4-[4-[4-[2-(Hexylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145957522
4-[4-[4-[2-(Dodecylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145960186
4-[4-[4-[2-(Hexadecylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 145960786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide (CID 155546145) is 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide is CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1.
What is the InChIKey of 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide?
The InChIKey is RBGXCIRQNQWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-6-12-24(13-7-2,19-8-10-21(26)17(3)14-19)20-9-11-22(18(4)15-20)28-16-23(27)25-5/h8-11,14-15,26H,6-7,12-13,16H2,1-5H3,(H,25,27).
What are the key properties of 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide?
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide has a molecular weight of 383.53 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide is sourced from PubChem (CID 155546145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).