(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one

C23H25NO4 — CID 8814820

IUPAC(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-2-18-3-5-19(6-4-18)7-12-22(25)20-8-10-21(11-9-20)28-17-23(26)24-13-15-27-16-14-24/h3-12H,2,13-17H2,1H3/b12-7+
InChIKeyPYBPYPWYVXQPPJ-KPKJPENVSA-N
MW379.46 g/mol
LogP3.38
Rot. Bonds7

About (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one

(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one (PubChem CID 8814820) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
PubChem CID8814820
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-2-18-3-5-19(6-4-18)7-12-22(25)20-8-10-21(11-9-20)28-17-23(26)24-13-15-27-16-14-24/h3-12H,2,13-17H2,1H3/b12-7+
InChIKeyPYBPYPWYVXQPPJ-KPKJPENVSA-N
XLogP3.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.38
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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Related Compounds

(E)-3-(3,4-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814823
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814776
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
methyl 4-[[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3978163
(E)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-3-phenylprop-2-en-1-one;hydrochloride
CID 155554404
(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 7945649
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one (CID 8814820) is (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one?
The InChIKey is PYBPYPWYVXQPPJ-KPKJPENVSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-18-3-5-19(6-4-18)7-12-22(25)20-8-10-21(11-9-20)28-17-23(26)24-13-15-27-16-14-24/h3-12H,2,13-17H2,1H3/b12-7+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 8814820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).