2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide

C13H20N2O4 — CID 106235488

IUPAC2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cccc(CNCCOCC(N)=O)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-11-5-3-4-10(13(11)18-2)8-15-6-7-19-9-12(14)16/h3-5,15H,6-9H2,1-2H3,(H2,14,16)
InChIKeyIWJQEAMYKXLJAN-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.30
Rot. Bonds9

About 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide

2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide (PubChem CID 106235488) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
PubChem CID106235488
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cccc(CNCCOCC(N)=O)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-11-5-3-4-10(13(11)18-2)8-15-6-7-19-9-12(14)16/h3-5,15H,6-9H2,1-2H3,(H2,14,16)
InChIKeyIWJQEAMYKXLJAN-UHFFFAOYSA-N
XLogP0.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
CID 82364656
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide (CID 106235488) is 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide is COc1cccc(CNCCOCC(N)=O)c1OC.
What is the InChIKey of 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide?
The InChIKey is IWJQEAMYKXLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-11-5-3-4-10(13(11)18-2)8-15-6-7-19-9-12(14)16/h3-5,15H,6-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide?
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide has a molecular weight of 268.31 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).