ethyl 2-[formyl(2-phenylethyl)amino]acetate

C13H17NO3 — CID 54590635

IUPACethyl 2-[formyl(2-phenylethyl)amino]acetate
SMILESCCOC(=O)CN(C=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-13(16)10-14(11-15)9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyOCMAQKPZJLTPRJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.25
Rot. Bonds7

About ethyl 2-[formyl(2-phenylethyl)amino]acetate

ethyl 2-[formyl(2-phenylethyl)amino]acetate (PubChem CID 54590635) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[formyl(2-phenylethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[formyl(2-phenylethyl)amino]acetate
PubChem CID54590635
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[formyl(2-phenylethyl)amino]acetate
SMILESCCOC(=O)CN(C=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-13(16)10-14(11-15)9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyOCMAQKPZJLTPRJ-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[formyl(2-phenylethyl)amino]acetate?
The IUPAC name of ethyl 2-[formyl(2-phenylethyl)amino]acetate (CID 54590635) is ethyl 2-[formyl(2-phenylethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[formyl(2-phenylethyl)amino]acetate?
The canonical SMILES for ethyl 2-[formyl(2-phenylethyl)amino]acetate is CCOC(=O)CN(C=O)CCc1ccccc1.
What is the InChIKey of ethyl 2-[formyl(2-phenylethyl)amino]acetate?
The InChIKey is OCMAQKPZJLTPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-13(16)10-14(11-15)9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[formyl(2-phenylethyl)amino]acetate?
ethyl 2-[formyl(2-phenylethyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[formyl(2-phenylethyl)amino]acetate is sourced from PubChem (CID 54590635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).