morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone

C22H21NO2 — CID 134951030

IUPACmorpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cc2ccc3ccccc3c2)cc1)N1CCOCC1
InChIInChI=1S/C22H21NO2/c24-22(23-11-13-25-14-12-23)20-9-5-17(6-10-20)15-18-7-8-19-3-1-2-4-21(19)16-18/h1-10,16H,11-15H2
InChIKeyWUWHRBYESQZSHS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.90
Rot. Bonds3

About morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone

morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone (PubChem CID 134951030) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone
PubChem CID134951030
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Namemorpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cc2ccc3ccccc3c2)cc1)N1CCOCC1
InChIInChI=1S/C22H21NO2/c24-22(23-11-13-25-14-12-23)20-9-5-17(6-10-20)15-18-7-8-19-3-1-2-4-21(19)16-18/h1-10,16H,11-15H2
InChIKeyWUWHRBYESQZSHS-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone (CID 134951030) is morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone is O=C(c1ccc(Cc2ccc3ccccc3c2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone?
The InChIKey is WUWHRBYESQZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(23-11-13-25-14-12-23)20-9-5-17(6-10-20)15-18-7-8-19-3-1-2-4-21(19)16-18/h1-10,16H,11-15H2.
What are the key properties of morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone?
morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone has a molecular weight of 331.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(naphthalen-2-ylmethyl)phenyl]methanone is sourced from PubChem (CID 134951030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).