methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate

C15H23NO4 — CID 82344816

IUPACmethyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
SMILESCCOc1ccc(C(NCCCOC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-4-20-13-8-6-12(7-9-13)14(15(17)19-3)16-10-5-11-18-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyZPAAUBQZIUMZCU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.93
Rot. Bonds9

About methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate

methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate (PubChem CID 82344816) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
PubChem CID82344816
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
SMILESCCOc1ccc(C(NCCCOC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-4-20-13-8-6-12(7-9-13)14(15(17)19-3)16-10-5-11-18-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyZPAAUBQZIUMZCU-UHFFFAOYSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.93
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

methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate?
The IUPAC name of methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate (CID 82344816) is methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate.
What is the SMILES notation for methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate?
The canonical SMILES for methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate is CCOc1ccc(C(NCCCOC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate?
The InChIKey is ZPAAUBQZIUMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-20-13-8-6-12(7-9-13)14(15(17)19-3)16-10-5-11-18-2/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate?
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate has a molecular weight of 281.35 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate is sourced from PubChem (CID 82344816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).