ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate

C21H23NO4 — CID 24724678

IUPACethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
SMILESCCOC(=O)c1cccc(C(=O)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H23NO4/c1-2-26-21(24)19-8-4-7-18(14-19)20(23)17-6-3-5-16(13-17)15-22-9-11-25-12-10-22/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyJDYPTBGHBIBZKX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds6

About ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate

ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate (PubChem CID 24724678) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
PubChem CID24724678
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nameethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
SMILESCCOC(=O)c1cccc(C(=O)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H23NO4/c1-2-26-21(24)19-8-4-7-18(14-19)20(23)17-6-3-5-16(13-17)15-22-9-11-25-12-10-22/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyJDYPTBGHBIBZKX-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

bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
ethyl 4-[(3-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 78789966
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
diethyl benzene-1,3-dicarboxylate
CID 12491
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate
CID 174847583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate?
The IUPAC name of ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate (CID 24724678) is ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate.
What is the SMILES notation for ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate?
The canonical SMILES for ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate is CCOC(=O)c1cccc(C(=O)c2cccc(CN3CCOCC3)c2)c1.
What is the InChIKey of ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate?
The InChIKey is JDYPTBGHBIBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-26-21(24)19-8-4-7-18(14-19)20(23)17-6-3-5-16(13-17)15-22-9-11-25-12-10-22/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate?
ethyl 3-[3-(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 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate is sourced from PubChem (CID 24724678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).