1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C17H24N2O — CID 4079580

IUPAC1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCCc2ccccc21
InChIInChI=1S/C17H24N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-5,7,11,14,16H,1-3,6,8-10,12H2,(H2,18,19,20)
InChIKeyVSFFAVKICNPBPW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.70
Rot. Bonds2

About 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 4079580) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID4079580
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCCc2ccccc21
InChIInChI=1S/C17H24N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-5,7,11,14,16H,1-3,6,8-10,12H2,(H2,18,19,20)
InChIKeyVSFFAVKICNPBPW-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 4079580) is 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NC1CCCCC1)NC1CCCc2ccccc21.
What is the InChIKey of 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is VSFFAVKICNPBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-5,7,11,14,16H,1-3,6,8-10,12H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 272.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 4079580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).