N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride

C15H25ClN2O3 — CID 119810587

IUPACN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CNC)c1C.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-4-19-8-9-20-11-13-6-5-7-14(12(13)2)17-15(18)10-16-3;/h5-7,16H,4,8-11H2,1-3H3,(H,17,18);1H
InChIKeyDKZUBZYUXCAWJA-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.13
Rot. Bonds9

About N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119810587) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119810587
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CNC)c1C.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-4-19-8-9-20-11-13-6-5-7-14(12(13)2)17-15(18)10-16-3;/h5-7,16H,4,8-11H2,1-3H3,(H,17,18);1H
InChIKeyDKZUBZYUXCAWJA-UHFFFAOYSA-N
XLogP2.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
N-(3-chloro-2-methylphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827342

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride (CID 119810587) is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride is CCOCCOCc1cccc(NC(=O)CNC)c1C.Cl.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is DKZUBZYUXCAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-4-19-8-9-20-11-13-6-5-7-14(12(13)2)17-15(18)10-16-3;/h5-7,16H,4,8-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119810587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).