methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate

C13H19NO3 — CID 115233033

IUPACmethyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
SMILESCCOc1ccc(CCNCC(=O)OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)8-9-14-10-13(15)16-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyHCHMCNPIBWJXOV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate

methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate (PubChem CID 115233033) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
PubChem CID115233033
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
SMILESCCOc1ccc(CCNCC(=O)OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)8-9-14-10-13(15)16-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyHCHMCNPIBWJXOV-UHFFFAOYSA-N
XLogP1.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
CID 165487144
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
3-[2-(4-ethoxyphenyl)ethylamino]propane-1-thiol
CID 115225112
methyl 2-(4-propylphenoxy)acetate
CID 19911850
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
CID 100569556
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate (CID 115233033) is methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate is CCOc1ccc(CCNCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate?
The InChIKey is HCHMCNPIBWJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)8-9-14-10-13(15)16-2/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate?
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 115233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).