2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide

C15H24N2O4 — CID 63056439

IUPAC2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCOCCNCc1cccc(OC)c1OCC(=O)N(C)C
InChIInChI=1S/C15H24N2O4/c1-17(2)14(18)11-21-15-12(10-16-8-9-19-3)6-5-7-13(15)20-4/h5-7,16H,8-11H2,1-4H3
InChIKeyFQIGKXFIJLILLT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.90
Rot. Bonds9

About 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide

2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 63056439) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID63056439
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCOCCNCc1cccc(OC)c1OCC(=O)N(C)C
InChIInChI=1S/C15H24N2O4/c1-17(2)14(18)11-21-15-12(10-16-8-9-19-3)6-5-7-13(15)20-4/h5-7,16H,8-11H2,1-4H3
InChIKeyFQIGKXFIJLILLT-UHFFFAOYSA-N
XLogP0.90
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide (CID 63056439) is 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide is COCCNCc1cccc(OC)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is FQIGKXFIJLILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)14(18)11-21-15-12(10-16-8-9-19-3)6-5-7-13(15)20-4/h5-7,16H,8-11H2,1-4H3.
What are the key properties of 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 296.37 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 63056439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).