N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride

C13H21ClN2O2 — CID 119772879

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)CNC.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)8-9-15-13(16)10-14-2;/h4-7,14H,3,8-10H2,1-2H3,(H,15,16);1H
InChIKeyGITOBTYIQILDHA-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.39
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119772879) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119772879
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)CNC.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)8-9-15-13(16)10-14-2;/h4-7,14H,3,8-10H2,1-2H3,(H,15,16);1H
InChIKeyGITOBTYIQILDHA-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025226
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 3751982
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119317364

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119772879) is N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride is CCOc1ccccc1CCNC(=O)CNC.Cl.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is GITOBTYIQILDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)8-9-15-13(16)10-14-2;/h4-7,14H,3,8-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119772879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).