1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea

C17H20N2O2 — CID 3700152

IUPAC1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCCC1O
InChIInChI=1S/C17H20N2O2/c20-16-11-4-3-9-15(16)19-17(21)18-14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-16,20H,3-4,9,11H2,(H2,18,19,21)
InChIKeyOEDOKLAJPVFKSD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea

1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea (PubChem CID 3700152) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea
PubChem CID3700152
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCCC1O
InChIInChI=1S/C17H20N2O2/c20-16-11-4-3-9-15(16)19-17(21)18-14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-16,20H,3-4,9,11H2,(H2,18,19,21)
InChIKeyOEDOKLAJPVFKSD-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea (CID 3700152) is 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea?
The InChIKey is OEDOKLAJPVFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-11-4-3-9-15(16)19-17(21)18-14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-16,20H,3-4,9,11H2,(H2,18,19,21).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea?
1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea has a molecular weight of 284.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 3700152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).