1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

C15H23N3O2 — CID 71992031

IUPAC1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCC(C)(C)CC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-15(2)8-6-11(7-9-15)16-14(20)17-12-5-4-10-18(3)13(12)19/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,20)
InChIKeyRHWCFUGPGVSSTI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.48
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 71992031) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID71992031
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCC(C)(C)CC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-15(2)8-6-11(7-9-15)16-14(20)17-12-5-4-10-18(3)13(12)19/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,20)
InChIKeyRHWCFUGPGVSSTI-UHFFFAOYSA-N
XLogP2.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 71992031) is 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NC2CCC(C)(C)CC2)c1=O.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is RHWCFUGPGVSSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2)8-6-11(7-9-15)16-14(20)17-12-5-4-10-18(3)13(12)19/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 71992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).