1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea

C17H32N2O — CID 67490515

IUPAC1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea
SMILESCC1CCC(N(CCCC2CCCCC2)C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-14-9-11-16(12-10-14)19(17(18)20)13-5-8-15-6-3-2-4-7-15/h14-16H,2-13H2,1H3,(H2,18,20)
InChIKeyLZYSQRPXDZHKGL-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea

1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea (PubChem CID 67490515) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea
PubChem CID67490515
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea
SMILESCC1CCC(N(CCCC2CCCCC2)C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-14-9-11-16(12-10-14)19(17(18)20)13-5-8-15-6-3-2-4-7-15/h14-16H,2-13H2,1H3,(H2,18,20)
InChIKeyLZYSQRPXDZHKGL-UHFFFAOYSA-N
XLogP4.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea (CID 67490515) is 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea is CC1CCC(N(CCCC2CCCCC2)C(N)=O)CC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea?
The InChIKey is LZYSQRPXDZHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-9-11-16(12-10-14)19(17(18)20)13-5-8-15-6-3-2-4-7-15/h14-16H,2-13H2,1H3,(H2,18,20).
What are the key properties of 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea?
1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea has a molecular weight of 280.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-1-(4-methylcyclohexyl)urea is sourced from PubChem (CID 67490515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).