ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate

C17H23NO4 — CID 24724267

IUPACethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-17(20)8-7-16(19)15-5-3-14(4-6-15)13-18-9-11-21-12-10-18/h3-6H,2,7-13H2,1H3
InChIKeyIADRPDFWARPUQU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.04
Rot. Bonds7

About ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate

ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate (PubChem CID 24724267) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
PubChem CID24724267
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-17(20)8-7-16(19)15-5-3-14(4-6-15)13-18-9-11-21-12-10-18/h3-6H,2,7-13H2,1H3
InChIKeyIADRPDFWARPUQU-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-4-[4-(piperidin-1-ylmethyl)phenyl]butanoate
CID 24724324
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopentanoate
CID 69231081
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
ethyl 4-[3-(azetidin-1-ylmethyl)phenyl]-4-oxobutanoate
CID 24724890
CID 59303659
CID 59303659
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
ethyl 2-[3-bromo-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]acetate
CID 156847432
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
CID 11266319

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate (CID 24724267) is ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate is CCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate?
The InChIKey is IADRPDFWARPUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-22-17(20)8-7-16(19)15-5-3-14(4-6-15)13-18-9-11-21-12-10-18/h3-6H,2,7-13H2,1H3.
What are the key properties of ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate?
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate has a molecular weight of 305.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate is sourced from PubChem (CID 24724267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).