(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one

C22H25NO3 — CID 51424205

IUPAC(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H25NO3/c1-17(2)26-22-6-4-3-5-19(22)9-12-21(24)18-7-10-20(11-8-18)23-13-15-25-16-14-23/h3-12,17H,13-16H2,1-2H3/b12-9+
InChIKeyAXUQUICTTWBWTP-FMIVXFBMSA-N
MW351.45 g/mol
LogP4.21
Rot. Bonds6

About (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one

(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 51424205) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
PubChem CID51424205
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H25NO3/c1-17(2)26-22-6-4-3-5-19(22)9-12-21(24)18-7-10-20(11-8-18)23-13-15-25-16-14-23/h3-12,17H,13-16H2,1-2H3/b12-9+
InChIKeyAXUQUICTTWBWTP-FMIVXFBMSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.21
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

3-[2-(difluoromethoxy)phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4800632
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684935
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 76871231
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2,4-dimorpholin-4-ylphenyl)prop-2-enamide
CID 16598411
3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4815913
(E)-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19543164
(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 40564659
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-3-(2-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one
CID 17404979

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one (CID 51424205) is (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one is CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is AXUQUICTTWBWTP-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H25NO3/c1-17(2)26-22-6-4-3-5-19(22)9-12-21(24)18-7-10-20(11-8-18)23-13-15-25-16-14-23/h3-12,17H,13-16H2,1-2H3/b12-9+.
What are the key properties of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 351.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 51424205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).