morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone

C22H21NO3 — CID 19578384

IUPACmorpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
SMILESO=C(c1cccc(COc2cccc3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C22H21NO3/c24-22(23-11-13-25-14-12-23)19-8-3-5-17(15-19)16-26-21-10-4-7-18-6-1-2-9-20(18)21/h1-10,15H,11-14,16H2
InChIKeyAVJPBXVCWMHLDB-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.89
Rot. Bonds4

About morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone

morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone (PubChem CID 19578384) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
PubChem CID19578384
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Namemorpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
SMILESO=C(c1cccc(COc2cccc3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C22H21NO3/c24-22(23-11-13-25-14-12-23)19-8-3-5-17(15-19)16-26-21-10-4-7-18-6-1-2-9-20(18)21/h1-10,15H,11-14,16H2
InChIKeyAVJPBXVCWMHLDB-UHFFFAOYSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone (CID 19578384) is morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone is O=C(c1cccc(COc2cccc3ccccc23)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The InChIKey is AVJPBXVCWMHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-22(23-11-13-25-14-12-23)19-8-3-5-17(15-19)16-26-21-10-4-7-18-6-1-2-9-20(18)21/h1-10,15H,11-14,16H2.
What are the key properties of morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone has a molecular weight of 347.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(naphthalen-1-yloxymethyl)phenyl]methanone is sourced from PubChem (CID 19578384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).