[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate

C17H18N2O3 — CID 143015562

IUPAC[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
SMILESN#COc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H18N2O3/c18-13-22-17-6-5-16(14-3-1-2-4-15(14)17)21-12-9-19-7-10-20-11-8-19/h1-6H,7-12H2
InChIKeyDTYJVEVKDBIBMJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.41
Rot. Bonds5

About [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate (PubChem CID 143015562) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
PubChem CID143015562
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
SMILESN#COc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H18N2O3/c18-13-22-17-6-5-16(14-3-1-2-4-15(14)17)21-12-9-19-7-10-20-11-8-19/h1-6H,7-12H2
InChIKeyDTYJVEVKDBIBMJ-UHFFFAOYSA-N
XLogP2.41
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
CID 59379811
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 11464077

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate?
The IUPAC name of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate (CID 143015562) is [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate.
What is the SMILES notation for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate?
The canonical SMILES for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate is N#COc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate?
The InChIKey is DTYJVEVKDBIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-13-22-17-6-5-16(14-3-1-2-4-15(14)17)21-12-9-19-7-10-20-11-8-19/h1-6H,7-12H2.
What are the key properties of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate?
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate has a molecular weight of 298.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate is sourced from PubChem (CID 143015562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).