3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one

C20H30N2O3 — CID 45206177

IUPAC3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c23-20(11-13-22-12-4-5-15-25-22)21-14-16-24-19(17-21)10-6-9-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2
InChIKeyRGWXHROFMIEWEU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.65
Rot. Bonds7

About 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one

3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one (PubChem CID 45206177) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
PubChem CID45206177
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c23-20(11-13-22-12-4-5-15-25-22)21-14-16-24-19(17-21)10-6-9-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2
InChIKeyRGWXHROFMIEWEU-UHFFFAOYSA-N
XLogP2.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one (CID 45206177) is 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one is O=C(CCN1CCCCO1)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The InChIKey is RGWXHROFMIEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20(11-13-22-12-4-5-15-25-22)21-14-16-24-19(17-21)10-6-9-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2.
What are the key properties of 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45206177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).