ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate

C14H21NO3 — CID 60812252

IUPACethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-4-17-13-9-7-6-8-12(13)11(3)15-10-14(16)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyAOEAEYIVRKMXGF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate

ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate (PubChem CID 60812252) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
PubChem CID60812252
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-4-17-13-9-7-6-8-12(13)11(3)15-10-14(16)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyAOEAEYIVRKMXGF-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917249
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460376
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate (CID 60812252) is ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate is CCOC(=O)CNC(C)c1ccccc1OCC.
What is the InChIKey of ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate?
The InChIKey is AOEAEYIVRKMXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-13-9-7-6-8-12(13)11(3)15-10-14(16)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate?
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 60812252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).