5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one

C16H19NO4 — CID 65456337

IUPAC5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(=O)N3CCOCC3)cccc21
InChIInChI=1S/C16H19NO4/c18-14-5-1-4-13-12(14)3-2-6-15(13)21-11-16(19)17-7-9-20-10-8-17/h2-3,6H,1,4-5,7-11H2
InChIKeyLKNIELRGLSVMQJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.44
Rot. Bonds3

About 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one

5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65456337) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65456337
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(=O)N3CCOCC3)cccc21
InChIInChI=1S/C16H19NO4/c18-14-5-1-4-13-12(14)3-2-6-15(13)21-11-16(19)17-7-9-20-10-8-17/h2-3,6H,1,4-5,7-11H2
InChIKeyLKNIELRGLSVMQJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65456337) is 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCC(=O)N3CCOCC3)cccc21.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LKNIELRGLSVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-14-5-1-4-13-12(14)3-2-6-15(13)21-11-16(19)17-7-9-20-10-8-17/h2-3,6H,1,4-5,7-11H2.
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 289.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65456337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).