N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide

C12H17NO3 — CID 10421149

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CCNC(C)=O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyUEOXHEKRNAFXFS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide

N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 10421149) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID10421149
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CCNC(C)=O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyUEOXHEKRNAFXFS-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 10421149) is N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(CCNC(C)=O)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is UEOXHEKRNAFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)13-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10421149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).