1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea

C16H22N2O2 — CID 110874634

IUPAC1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
SMILESO=C(Nc1cccc2c1OCCC2)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(17-13-8-2-1-3-9-13)18-14-10-4-6-12-7-5-11-20-15(12)14/h4,6,10,13H,1-3,5,7-9,11H2,(H2,17,18,19)
InChIKeySPJRUOBQHKRBOX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.47
Rot. Bonds2

About 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea

1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea (PubChem CID 110874634) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
PubChem CID110874634
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
SMILESO=C(Nc1cccc2c1OCCC2)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(17-13-8-2-1-3-9-13)18-14-10-4-6-12-7-5-11-20-15(12)14/h4,6,10,13H,1-3,5,7-9,11H2,(H2,17,18,19)
InChIKeySPJRUOBQHKRBOX-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea (CID 110874634) is 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea is O=C(Nc1cccc2c1OCCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea?
The InChIKey is SPJRUOBQHKRBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(17-13-8-2-1-3-9-13)18-14-10-4-6-12-7-5-11-20-15(12)14/h4,6,10,13H,1-3,5,7-9,11H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea?
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea has a molecular weight of 274.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea is sourced from PubChem (CID 110874634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).