N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide

C13H19NO2 — CID 10443503

IUPACN-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(OC)c(CCNC(C)=O)c1
InChIInChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)12(9-11)7-8-14-10(2)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyRDHXEVUWASGOOD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide (PubChem CID 10443503) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide
PubChem CID10443503
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(OC)c(CCNC(C)=O)c1
InChIInChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)12(9-11)7-8-14-10(2)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyRDHXEVUWASGOOD-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide (CID 10443503) is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide is CCc1ccc(OC)c(CCNC(C)=O)c1.
What is the InChIKey of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide?
The InChIKey is RDHXEVUWASGOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)12(9-11)7-8-14-10(2)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide?
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10443503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).