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

C15H24N2O3 — CID 119810588

IUPACN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
SMILESCCOCCOCc1cccc(NC(=O)CNC)c1C
InChIInChI=1S/C15H24N2O3/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)
InChIKeyBIWNAPJLJAFGPA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

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

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide (PubChem CID 119810588) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
PubChem CID119810588
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
SMILESCCOCCOCc1cccc(NC(=O)CNC)c1C
InChIInChI=1S/C15H24N2O3/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)
InChIKeyBIWNAPJLJAFGPA-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
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;hydrochloride
CID 119810587
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-methylpropanamide;hydrochloride
CID 119338952
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
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
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?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide (CID 119810588) is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide is CCOCCOCc1cccc(NC(=O)CNC)c1C.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide?
The InChIKey is BIWNAPJLJAFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/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).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide?
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 119810588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).