4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one

C18H21NO2 — CID 11460278

IUPAC4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c20-18(6-3-9-19-10-12-21-13-11-19)17-8-7-15-4-1-2-5-16(15)14-17/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyXNBWBBFRECKOQI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds5

About 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one

4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one (PubChem CID 11460278) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one
PubChem CID11460278
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c20-18(6-3-9-19-10-12-21-13-11-19)17-8-7-15-4-1-2-5-16(15)14-17/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyXNBWBBFRECKOQI-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
CID 1518
N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 24979575
3-(Morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride
CID 2807049
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 9886130
3-Morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
CID 134103594
2-(4-Benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride
CID 14280721
Propiophenone, 2',4'-dimethyl-3-morpholino-, hydrochloride
CID 214223
3,4-Dihydro-2-(1-piperidinylmethyl)-1(2H)-naphthalenone
CID 20830
1-Propanone, 1-[1,1'-biphenyl]-4-yl-2-methyl-2-(4-morpholinyl)-
CID 20574161
1-(4-Hexylphenyl)-3-(morpholin-4-yl)propan-1-one
CID 23635362
2-(Morpholin-4-yl)-1,3-diphenylpropan-1-one
CID 234548

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one?
The IUPAC name of 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one (CID 11460278) is 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one?
The canonical SMILES for 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one is O=C(CCCN1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one?
The InChIKey is XNBWBBFRECKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(6-3-9-19-10-12-21-13-11-19)17-8-7-15-4-1-2-5-16(15)14-17/h1-2,4-5,7-8,14H,3,6,9-13H2.
What are the key properties of 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one?
4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 11460278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).