ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate

C14H21NO4 — CID 115257468

IUPACethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO4/c1-4-19-14(16)10-15-8-7-11-9-12(17-2)5-6-13(11)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyKUPGXJYTBXBKTK-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.40
Rot. Bonds8

About ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate

ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate (PubChem CID 115257468) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
PubChem CID115257468
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO4/c1-4-19-14(16)10-15-8-7-11-9-12(17-2)5-6-13(11)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyKUPGXJYTBXBKTK-UHFFFAOYSA-N
XLogP1.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.40
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

ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate (CID 115257468) is ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate is CCOC(=O)CNCCc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate?
The InChIKey is KUPGXJYTBXBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-19-14(16)10-15-8-7-11-9-12(17-2)5-6-13(11)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate?
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate has a molecular weight of 267.32 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 115257468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).