(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C23H35NO5 — CID 7690254

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OCC(=O)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H35NO5/c1-22(2,3)17-13-16(14-18(21(17)27)23(4,5)6)7-8-20(26)29-15-19(25)24-9-11-28-12-10-24/h13-14,27H,7-12,15H2,1-6H3
InChIKeyUSMCXTMRYBVEPP-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.32
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 7690254) has the molecular formula C23H35NO5 and a molecular weight of 405.54 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID7690254
Molecular FormulaC23H35NO5
Molecular Weight405.54 g/mol
Exact Mass405.25
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OCC(=O)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H35NO5/c1-22(2,3)17-13-16(14-18(21(17)27)23(4,5)6)7-8-20(26)29-15-19(25)24-9-11-28-12-10-24/h13-14,27H,7-12,15H2,1-6H3
InChIKeyUSMCXTMRYBVEPP-UHFFFAOYSA-N
XLogP3.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
[2-(dimethylamino)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 7690237
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 161430473
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[(2S)-2-methylmorpholin-4-yl]propan-1-one
CID 41247508
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
[5-[3,5-bis[5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]pentanethioyl]-1,3,5-triazinan-1-yl]-5-sulfanylidenepentyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 150029859
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl-trimethylazanium iodide
CID 12988676
3-bromopropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 172554601
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]piperazin-1-yl]benzoic acid
CID 13135962
[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-[3-(4-hydroxyphenyl)propanoyloxy]-2-[3-(4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(4-hydroxyphenyl)propanoate
CID 140565721

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 7690254) is (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(C)(C)c1cc(CCC(=O)OCC(=O)N2CCOCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is USMCXTMRYBVEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO5/c1-22(2,3)17-13-16(14-18(21(17)27)23(4,5)6)7-8-20(26)29-15-19(25)24-9-11-28-12-10-24/h13-14,27H,7-12,15H2,1-6H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
(2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 405.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 7690254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).