1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

C19H28N2O2 — CID 112974981

IUPAC1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESO=C(NCCOc1cccc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-19(21-16-9-2-1-3-10-16)20-13-14-23-18-12-6-8-15-7-4-5-11-17(15)18/h6,8,12,16H,1-5,7,9-11,13-14H2,(H2,20,21,22)
InChIKeyDAEGMAHJDZSKHU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (PubChem CID 112974981) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
PubChem CID112974981
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESO=C(NCCOc1cccc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-19(21-16-9-2-1-3-10-16)20-13-14-23-18-12-6-8-15-7-4-5-11-17(15)18/h6,8,12,16H,1-5,7,9-11,13-14H2,(H2,20,21,22)
InChIKeyDAEGMAHJDZSKHU-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
CID 113101698
1-(3-bromophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975091
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975099
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975008
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (CID 112974981) is 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is O=C(NCCOc1cccc2c1CCCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The InChIKey is DAEGMAHJDZSKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(21-16-9-2-1-3-10-16)20-13-14-23-18-12-6-8-15-7-4-5-11-17(15)18/h6,8,12,16H,1-5,7,9-11,13-14H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea has a molecular weight of 316.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is sourced from PubChem (CID 112974981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).