N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide

C15H23NO3 — CID 70864032

IUPACN-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide
SMILESCCCC(NC(C)=O)c1cc(O)c(OC)cc1CC
InChIInChI=1S/C15H23NO3/c1-5-7-13(16-10(3)17)12-9-14(18)15(19-4)8-11(12)6-2/h8-9,13,18H,5-7H2,1-4H3,(H,16,17)
InChIKeyCPUOSRPMIVFSTG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.94
Rot. Bonds6

About N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide

N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide (PubChem CID 70864032) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide
PubChem CID70864032
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide
SMILESCCCC(NC(C)=O)c1cc(O)c(OC)cc1CC
InChIInChI=1S/C15H23NO3/c1-5-7-13(16-10(3)17)12-9-14(18)15(19-4)8-11(12)6-2/h8-9,13,18H,5-7H2,1-4H3,(H,16,17)
InChIKeyCPUOSRPMIVFSTG-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
CID 93477742
5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983
2-[[1-(2-ethyl-4,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 145069557
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide
CID 97037046
N-[1-[2-(2-chloroethyl)-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10574215
2,5-diethyl-4-methoxyphenol
CID 162375149
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
(3S)-3-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
CID 78947500
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide?
The IUPAC name of N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide (CID 70864032) is N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide.
What is the SMILES notation for N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide?
The canonical SMILES for N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide is CCCC(NC(C)=O)c1cc(O)c(OC)cc1CC.
What is the InChIKey of N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide?
The InChIKey is CPUOSRPMIVFSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-13(16-10(3)17)12-9-14(18)15(19-4)8-11(12)6-2/h8-9,13,18H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide?
N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide is sourced from PubChem (CID 70864032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).