1,3-dicyclohexyl-1-ethylurea

C15H28N2O — CID 4089976

IUPAC1,3-dicyclohexyl-1-ethylurea
SMILESCCN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyKBSHFCCZTIMGTG-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.68
Rot. Bonds3

About 1,3-dicyclohexyl-1-ethylurea

1,3-dicyclohexyl-1-ethylurea (PubChem CID 4089976) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1-ethylurea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1-ethylurea
PubChem CID4089976
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,3-dicyclohexyl-1-ethylurea
SMILESCCN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyKBSHFCCZTIMGTG-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1-ethylurea?
The IUPAC name of 1,3-dicyclohexyl-1-ethylurea (CID 4089976) is 1,3-dicyclohexyl-1-ethylurea.
What is the SMILES notation for 1,3-dicyclohexyl-1-ethylurea?
The canonical SMILES for 1,3-dicyclohexyl-1-ethylurea is CCN(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1-ethylurea?
The InChIKey is KBSHFCCZTIMGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of 1,3-dicyclohexyl-1-ethylurea?
1,3-dicyclohexyl-1-ethylurea has a molecular weight of 252.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1-ethylurea is sourced from PubChem (CID 4089976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).