(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione

C22H23NO3 — CID 5357284

IUPAC(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione
SMILESCc1ccc(C(=O)/C=C(/C(=O)c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H23NO3/c1-16-3-7-18(8-4-16)21(24)15-20(23-11-13-26-14-12-23)22(25)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3/b20-15-
InChIKeyFWGYGNSDPBEBCY-HKWRFOASSA-N
MW349.43 g/mol
LogP3.59
Rot. Bonds5

About (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione

(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione (PubChem CID 5357284) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione
PubChem CID5357284
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione
SMILESCc1ccc(C(=O)/C=C(/C(=O)c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H23NO3/c1-16-3-7-18(8-4-16)21(24)15-20(23-11-13-26-14-12-23)22(25)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3/b20-15-
InChIKeyFWGYGNSDPBEBCY-HKWRFOASSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione?
The IUPAC name of (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione (CID 5357284) is (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione?
The canonical SMILES for (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione is Cc1ccc(C(=O)/C=C(/C(=O)c2ccc(C)cc2)N2CCOCC2)cc1.
What is the InChIKey of (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione?
The InChIKey is FWGYGNSDPBEBCY-HKWRFOASSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16-3-7-18(8-4-16)21(24)15-20(23-11-13-26-14-12-23)22(25)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3/b20-15-.
What are the key properties of (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione?
(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione has a molecular weight of 349.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione is sourced from PubChem (CID 5357284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).