2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate

C13H19NO4 — CID 82533040

IUPAC2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
SMILESCOCC(=O)OCCNCc1cccc(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-10-13(15)18-7-6-14-9-11-4-3-5-12(8-11)17-2/h3-5,8,14H,6-7,9-10H2,1-2H3
InChIKeyVWRSNOYHYQUETG-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds8

About 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate

2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate (PubChem CID 82533040) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
PubChem CID82533040
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
SMILESCOCC(=O)OCCNCc1cccc(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-10-13(15)18-7-6-14-9-11-4-3-5-12(8-11)17-2/h3-5,8,14H,6-7,9-10H2,1-2H3
InChIKeyVWRSNOYHYQUETG-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
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-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
2-[(3-propoxyphenyl)methylamino]ethyl propanoate
CID 82532842
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
CID 82533370
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate?
The IUPAC name of 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate (CID 82533040) is 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate?
The canonical SMILES for 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate is COCC(=O)OCCNCc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate?
The InChIKey is VWRSNOYHYQUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-10-13(15)18-7-6-14-9-11-4-3-5-12(8-11)17-2/h3-5,8,14H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate?
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate has a molecular weight of 253.30 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate is sourced from PubChem (CID 82533040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).