ethyl 4-oxo-4-(1-phenylethylamino)butanoate

C14H19NO3 — CID 60635026

IUPACethyl 4-oxo-4-(1-phenylethylamino)butanoate
SMILESCCOC(=O)CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(16)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16)
InChIKeySQZXACZJCJAORB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-oxo-4-(1-phenylethylamino)butanoate

ethyl 4-oxo-4-(1-phenylethylamino)butanoate (PubChem CID 60635026) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-oxo-4-(1-phenylethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(1-phenylethylamino)butanoate
PubChem CID60635026
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 4-oxo-4-(1-phenylethylamino)butanoate
SMILESCCOC(=O)CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(16)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16)
InChIKeySQZXACZJCJAORB-UHFFFAOYSA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(1-phenylethylamino)butanoate?
The IUPAC name of ethyl 4-oxo-4-(1-phenylethylamino)butanoate (CID 60635026) is ethyl 4-oxo-4-(1-phenylethylamino)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(1-phenylethylamino)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(1-phenylethylamino)butanoate is CCOC(=O)CCC(=O)NC(C)c1ccccc1.
What is the InChIKey of ethyl 4-oxo-4-(1-phenylethylamino)butanoate?
The InChIKey is SQZXACZJCJAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(16)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-oxo-4-(1-phenylethylamino)butanoate?
ethyl 4-oxo-4-(1-phenylethylamino)butanoate has a molecular weight of 249.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(1-phenylethylamino)butanoate is sourced from PubChem (CID 60635026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).