N-[2-(3-methoxyanilino)ethyl]acetamide

C11H16N2O2 — CID 24750070

IUPACN-[2-(3-methoxyanilino)ethyl]acetamide
SMILESCOc1cccc(NCCNC(C)=O)c1
InChIInChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyIPVYDKKJTZMETA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(3-methoxyanilino)ethyl]acetamide

N-[2-(3-methoxyanilino)ethyl]acetamide (PubChem CID 24750070) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)ethyl]acetamide
PubChem CID24750070
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[2-(3-methoxyanilino)ethyl]acetamide
SMILESCOc1cccc(NCCNC(C)=O)c1
InChIInChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyIPVYDKKJTZMETA-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)ethyl]acetamide (CID 24750070) is N-[2-(3-methoxyanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)ethyl]acetamide is COc1cccc(NCCNC(C)=O)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)ethyl]acetamide?
The InChIKey is IPVYDKKJTZMETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(3-methoxyanilino)ethyl]acetamide?
N-[2-(3-methoxyanilino)ethyl]acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)ethyl]acetamide is sourced from PubChem (CID 24750070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).