ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate

C16H23NO4 — CID 60661013

IUPACethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCOC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-21-16(19)10-9-15(18)17(11-12-20-2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyZFHLTHCGZMAXIN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds9

About ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate

ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate (PubChem CID 60661013) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate
PubChem CID60661013
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCOC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-21-16(19)10-9-15(18)17(11-12-20-2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyZFHLTHCGZMAXIN-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate (CID 60661013) is ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CCOC)Cc1ccccc1.
What is the InChIKey of ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate?
The InChIKey is ZFHLTHCGZMAXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-16(19)10-9-15(18)17(11-12-20-2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3.
What are the key properties of ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate?
ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate has a molecular weight of 293.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(2-methoxyethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 60661013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).