ethyl 2-(1-phenylpropylamino)acetate

C13H19NO2 — CID 60811471

IUPACethyl 2-(1-phenylpropylamino)acetate
SMILESCCOC(=O)CNC(CC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(11-8-6-5-7-9-11)14-10-13(15)16-4-2/h5-9,12,14H,3-4,10H2,1-2H3
InChIKeyMABZWFSZOUFBEN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds6

About ethyl 2-(1-phenylpropylamino)acetate

ethyl 2-(1-phenylpropylamino)acetate (PubChem CID 60811471) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-(1-phenylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-phenylpropylamino)acetate
PubChem CID60811471
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-(1-phenylpropylamino)acetate
SMILESCCOC(=O)CNC(CC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(11-8-6-5-7-9-11)14-10-13(15)16-4-2/h5-9,12,14H,3-4,10H2,1-2H3
InChIKeyMABZWFSZOUFBEN-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1-phenylpropylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
N-ethyl-N-phenyl-2-(1-phenylpropylamino)acetamide
CID 54845115
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylpropylamino)acetate?
The IUPAC name of ethyl 2-(1-phenylpropylamino)acetate (CID 60811471) is ethyl 2-(1-phenylpropylamino)acetate.
What is the SMILES notation for ethyl 2-(1-phenylpropylamino)acetate?
The canonical SMILES for ethyl 2-(1-phenylpropylamino)acetate is CCOC(=O)CNC(CC)c1ccccc1.
What is the InChIKey of ethyl 2-(1-phenylpropylamino)acetate?
The InChIKey is MABZWFSZOUFBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-12(11-8-6-5-7-9-11)14-10-13(15)16-4-2/h5-9,12,14H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(1-phenylpropylamino)acetate?
ethyl 2-(1-phenylpropylamino)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylpropylamino)acetate is sourced from PubChem (CID 60811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).