ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate

C15H21NO4 — CID 2202859

IUPACethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-20-14(17)9-10-16(12-15(18)19-2)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeySNQQVWRCDMLBJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.61
Rot. Bonds8

About ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate

ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate (PubChem CID 2202859) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate
PubChem CID2202859
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-20-14(17)9-10-16(12-15(18)19-2)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeySNQQVWRCDMLBJL-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate?
The IUPAC name of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate (CID 2202859) is ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate is CCOC(=O)CCN(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate?
The InChIKey is SNQQVWRCDMLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-20-14(17)9-10-16(12-15(18)19-2)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3.
What are the key properties of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate?
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]propanoate is sourced from PubChem (CID 2202859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).