ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate

C21H23NO4 — CID 24724227

IUPACethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-26-21(24)19-9-7-18(8-10-19)20(23)17-5-3-16(4-6-17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3
InChIKeyBMTZVZJSQHJJKD-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds6

About ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate

ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate (PubChem CID 24724227) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
PubChem CID24724227
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nameethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-26-21(24)19-9-7-18(8-10-19)20(23)17-5-3-16(4-6-17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3
InChIKeyBMTZVZJSQHJJKD-UHFFFAOYSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
ethyl 4-(1,4,7-triazonan-1-ylmethyl)benzoate
CID 165144357
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate?
The IUPAC name of ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate (CID 24724227) is ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate.
What is the SMILES notation for ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate?
The canonical SMILES for ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate is CCOC(=O)c1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate?
The InChIKey is BMTZVZJSQHJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-26-21(24)19-9-7-18(8-10-19)20(23)17-5-3-16(4-6-17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3.
What are the key properties of ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate?
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate has a molecular weight of 353.42 g/mol, XLogP of 2.93, 6 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)benzoyl]benzoate is sourced from PubChem (CID 24724227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).