N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride

C12H19ClN2O2 — CID 119714333

IUPACN-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CNC)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-10(5-7-11)8-14-12(15)9-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyVFAWLKHTDKVXJY-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.34
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride

N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119714333) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119714333
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CNC)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-10(5-7-11)8-14-12(15)9-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyVFAWLKHTDKVXJY-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
methyl 4-[4-[[[2-(methylamino)acetyl]amino]methyl]phenoxy]butanoate
CID 119787949
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride (CID 119714333) is N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride is CCOc1ccc(CNC(=O)CNC)cc1.Cl.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is VFAWLKHTDKVXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-10(5-7-11)8-14-12(15)9-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119714333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).