(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone

C21H25NO3 — CID 126444086

IUPAC(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone
SMILESC[C@H](O)c1ccc(-c2cccc(C(=O)N3CCOC(C)(C)C3)c2)cc1
InChIInChI=1S/C21H25NO3/c1-15(23)16-7-9-17(10-8-16)18-5-4-6-19(13-18)20(24)22-11-12-25-21(2,3)14-22/h4-10,13,15,23H,11-12,14H2,1-3H3/t15-/m0/s1
InChIKeyDCFCAPZNSKHPJO-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds3

About (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone

(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone (PubChem CID 126444086) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone
PubChem CID126444086
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone
SMILESC[C@H](O)c1ccc(-c2cccc(C(=O)N3CCOC(C)(C)C3)c2)cc1
InChIInChI=1S/C21H25NO3/c1-15(23)16-7-9-17(10-8-16)18-5-4-6-19(13-18)20(24)22-11-12-25-21(2,3)14-22/h4-10,13,15,23H,11-12,14H2,1-3H3/t15-/m0/s1
InChIKeyDCFCAPZNSKHPJO-HNNXBMFYSA-N
XLogP3.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone (CID 126444086) is (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone is C[C@H](O)c1ccc(-c2cccc(C(=O)N3CCOC(C)(C)C3)c2)cc1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone?
The InChIKey is DCFCAPZNSKHPJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(23)16-7-9-17(10-8-16)18-5-4-6-19(13-18)20(24)22-11-12-25-21(2,3)14-22/h4-10,13,15,23H,11-12,14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone?
(2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]methanone is sourced from PubChem (CID 126444086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).