tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate

C18H25NO4 — CID 133053467

IUPACtert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
SMILESCOc1ccc(N2CCOCC2)c(/C=C/C(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(20)8-5-14-13-15(21-4)6-7-16(14)19-9-11-22-12-10-19/h5-8,13H,9-12H2,1-4H3/b8-5+
InChIKeyOKLGSKNHSVCWBQ-VMPITWQZSA-N
MW319.40 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate

tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate (PubChem CID 133053467) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
PubChem CID133053467
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
SMILESCOc1ccc(N2CCOCC2)c(/C=C/C(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(20)8-5-14-13-15(21-4)6-7-16(14)19-9-11-22-12-10-19/h5-8,13H,9-12H2,1-4H3/b8-5+
InChIKeyOKLGSKNHSVCWBQ-VMPITWQZSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethenyl-5-methoxyphenyl)morpholine
CID 67806391
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
CID 17358373
2-piperidin-1-ium-4-ylpropan-2-yl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 167315223
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 8684941
tert-butyl 4-[4-bromo-2-[3-(2-fluoro-4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate
CID 68745443
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 8684945
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
CID 170603344
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate (CID 133053467) is tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate is COc1ccc(N2CCOCC2)c(/C=C/C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate?
The InChIKey is OKLGSKNHSVCWBQ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)23-17(20)8-5-14-13-15(21-4)6-7-16(14)19-9-11-22-12-10-19/h5-8,13H,9-12H2,1-4H3/b8-5+.
What are the key properties of tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate?
tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate has a molecular weight of 319.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate is sourced from PubChem (CID 133053467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).