phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone

C23H28NO2+ — CID 54360427

IUPACphenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone
SMILESCC(=C[N+]1(C(=O)c2ccccc2)CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H28NO2/c1-18(2)20-9-11-21(12-10-20)19(3)17-24(13-15-26-16-14-24)23(25)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3/q+1
InChIKeyCAWIQAQWQYYTRC-UHFFFAOYSA-N
MW350.48 g/mol
LogP4.86
Rot. Bonds4

About phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone

phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone (PubChem CID 54360427) has the molecular formula C23H28NO2+ and a molecular weight of 350.48 g/mol. Its IUPAC name is phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone
PubChem CID54360427
Molecular FormulaC23H28NO2+
Molecular Weight350.48 g/mol
Exact Mass350.21
IUPAC Namephenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone
SMILESCC(=C[N+]1(C(=O)c2ccccc2)CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H28NO2/c1-18(2)20-9-11-21(12-10-20)19(3)17-24(13-15-26-16-14-24)23(25)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3/q+1
InChIKeyCAWIQAQWQYYTRC-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 53315205
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
acetic acid;cumene
CID 172767405
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one
CID 110407781
1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
CID 22750888
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
(E)-5-methyl-3-(4-propan-2-ylphenyl)hex-2-enoic acid
CID 82049357
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
4-phenylpent-3-en-2-one
CID 594380

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone?
The IUPAC name of phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone (CID 54360427) is phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone.
What is the SMILES notation for phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone?
The canonical SMILES for phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone is CC(=C[N+]1(C(=O)c2ccccc2)CCOCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone?
The InChIKey is CAWIQAQWQYYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28NO2/c1-18(2)20-9-11-21(12-10-20)19(3)17-24(13-15-26-16-14-24)23(25)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3/q+1.
What are the key properties of phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone?
phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone is sourced from PubChem (CID 54360427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).