(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C22H25NO5 — CID 14763381

IUPAC(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H25NO5/c1-25-20-14-17(15-21(26-2)22(20)27-3)19(24)9-6-16-4-7-18(8-5-16)23-10-12-28-13-11-23/h4-9,14-15H,10-13H2,1-3H3/b9-6+
InChIKeyKFOCCEOCNSLQPA-RMKNXTFCSA-N
MW383.44 g/mol
LogP3.45
Rot. Bonds7

About (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 14763381) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID14763381
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H25NO5/c1-25-20-14-17(15-21(26-2)22(20)27-3)19(24)9-6-16-4-7-18(8-5-16)23-10-12-28-13-11-23/h4-9,14-15H,10-13H2,1-3H3/b9-6+
InChIKeyKFOCCEOCNSLQPA-RMKNXTFCSA-N
XLogP3.45
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 14763381) is (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC.
What is the InChIKey of (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is KFOCCEOCNSLQPA-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-20-14-17(15-21(26-2)22(20)27-3)19(24)9-6-16-4-7-18(8-5-16)23-10-12-28-13-11-23/h4-9,14-15H,10-13H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 383.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 14763381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).