(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

C18H26N2O3 — CID 95321116

IUPAC(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(C)(C)O1
InChIInChI=1S/C18H26N2O3/c1-14-12-20(13-18(2,3)23-14)17(21)15-6-4-5-7-16(15)19-8-10-22-11-9-19/h4-7,14H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyORDKPGKWDFXFBH-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.16
Rot. Bonds2

About (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 95321116) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID95321116
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(C)(C)O1
InChIInChI=1S/C18H26N2O3/c1-14-12-20(13-18(2,3)23-14)17(21)15-6-4-5-7-16(15)19-8-10-22-11-9-19/h4-7,14H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyORDKPGKWDFXFBH-AWEZNQCLSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 95321116) is (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(C)(C)O1.
What is the InChIKey of (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is ORDKPGKWDFXFBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-12-20(13-18(2,3)23-14)17(21)15-6-4-5-7-16(15)19-8-10-22-11-9-19/h4-7,14H,8-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95321116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).