2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride

C12H19ClN2O2 — CID 119441041

IUPAC2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCOCC(=O)Nc1cccc(CNC)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-9-12(15)14-11-6-4-5-10(7-11)8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyORIAUTDKVKZJFG-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.80
Rot. Bonds6

About 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride

2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119441041) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119441041
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCOCC(=O)Nc1cccc(CNC)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-9-12(15)14-11-6-4-5-10(7-11)8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyORIAUTDKVKZJFG-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride (CID 119441041) is 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride is CCOCC(=O)Nc1cccc(CNC)c1.Cl.
What is the InChIKey of 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is ORIAUTDKVKZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-3-16-9-12(15)14-11-6-4-5-10(7-11)8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride?
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119441041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).