2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide

C11H16N2O2 — CID 22690352

IUPAC2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN)c1
InChIInChI=1S/C11H16N2O2/c1-15-10-4-2-3-9(7-10)5-6-13-11(14)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyHBNIRWGEBCHYQV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.31
Rot. Bonds5

About 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 22690352) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID22690352
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN)c1
InChIInChI=1S/C11H16N2O2/c1-15-10-4-2-3-9(7-10)5-6-13-11(14)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyHBNIRWGEBCHYQV-UHFFFAOYSA-N
XLogP0.31
TPSA64.35 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 22690352) is 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is HBNIRWGEBCHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-10-4-2-3-9(7-10)5-6-13-11(14)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).