1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one

C18H21NO2 — CID 82050956

IUPAC1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H21NO2/c1-14-6-7-17(16-5-3-2-4-15(14)16)18(20)8-9-19-10-12-21-13-11-19/h2-7H,8-13H2,1H3
InChIKeyYWBKZKWWPURYDW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one

1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 82050956) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID82050956
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H21NO2/c1-14-6-7-17(16-5-3-2-4-15(14)16)18(20)8-9-19-10-12-21-13-11-19/h2-7H,8-13H2,1H3
InChIKeyYWBKZKWWPURYDW-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 90484229
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
4-hydroxy-1-methyl-3-(3-morpholin-4-ylpropanoyl)quinolin-2-one
CID 163183627
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
2-methyl-N-[2-(2-morpholin-4-ylethoxy)ethyl]benzamide
CID 166586197
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one (CID 82050956) is 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is YWBKZKWWPURYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-6-7-17(16-5-3-2-4-15(14)16)18(20)8-9-19-10-12-21-13-11-19/h2-7H,8-13H2,1H3.
What are the key properties of 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one?
1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 82050956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).