3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea

C13H18N2O2 — CID 127034559

IUPAC3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCc2cc(O)ccc2C1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(17)14-11-5-3-10-8-12(16)6-4-9(10)7-11/h4,6,8,11,16H,3,5,7H2,1-2H3,(H,14,17)
InChIKeyXNDCARDVIREOCF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds1

About 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea

3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea (PubChem CID 127034559) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea
PubChem CID127034559
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCc2cc(O)ccc2C1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(17)14-11-5-3-10-8-12(16)6-4-9(10)7-11/h4,6,8,11,16H,3,5,7H2,1-2H3,(H,14,17)
InChIKeyXNDCARDVIREOCF-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea (CID 127034559) is 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea is CN(C)C(=O)NC1CCc2cc(O)ccc2C1.
What is the InChIKey of 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea?
The InChIKey is XNDCARDVIREOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)13(17)14-11-5-3-10-8-12(16)6-4-9(10)7-11/h4,6,8,11,16H,3,5,7H2,1-2H3,(H,14,17).
What are the key properties of 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea?
3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea has a molecular weight of 234.30 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 127034559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).