2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide

C13H20N2O3 — CID 119502745

IUPAC2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-14-7-8-15-13(16)9-10-11(17-2)5-4-6-12(10)18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16)
InChIKeyRZUASMFRMTXXNN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.58
Rot. Bonds7

About 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide

2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide (PubChem CID 119502745) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
PubChem CID119502745
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-14-7-8-15-13(16)9-10-11(17-2)5-4-6-12(10)18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16)
InChIKeyRZUASMFRMTXXNN-UHFFFAOYSA-N
XLogP0.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.58
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-(2-amino-2-methylpropyl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119628885
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 24683584
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide (CID 119502745) is 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)Cc1c(OC)cccc1OC.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is RZUASMFRMTXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-7-8-15-13(16)9-10-11(17-2)5-4-6-12(10)18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide?
2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 119502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).