(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone

C20H27NO3 — CID 126819255

IUPAC(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
SMILESC=CCC1(C(=O)N2CCOC(C)(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C20H27NO3/c1-3-9-20(10-13-23-14-11-20)18(22)21-12-15-24-19(2,16-21)17-7-5-4-6-8-17/h3-8H,1,9-16H2,2H3
InChIKeyDPXMGUSFOLQXLP-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.13
Rot. Bonds4

About (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone

(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone (PubChem CID 126819255) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
PubChem CID126819255
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
SMILESC=CCC1(C(=O)N2CCOC(C)(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C20H27NO3/c1-3-9-20(10-13-23-14-11-20)18(22)21-12-15-24-19(2,16-21)17-7-5-4-6-8-17/h3-8H,1,9-16H2,2H3
InChIKeyDPXMGUSFOLQXLP-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone?
The IUPAC name of (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone (CID 126819255) is (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone.
What is the SMILES notation for (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone?
The canonical SMILES for (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone is C=CCC1(C(=O)N2CCOC(C)(c3ccccc3)C2)CCOCC1.
What is the InChIKey of (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone?
The InChIKey is DPXMGUSFOLQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-9-20(10-13-23-14-11-20)18(22)21-12-15-24-19(2,16-21)17-7-5-4-6-8-17/h3-8H,1,9-16H2,2H3.
What are the key properties of (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone?
(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone is sourced from PubChem (CID 126819255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).