1,3-dicyclohexyl-1,3-di(propan-2-yl)urea

C19H36N2O — CID 14738091

IUPAC1,3-dicyclohexyl-1,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36N2O/c1-15(2)20(17-11-7-5-8-12-17)19(22)21(16(3)4)18-13-9-6-10-14-18/h15-18H,5-14H2,1-4H3
InChIKeyRALXUJUOTXYSGW-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.19
Rot. Bonds4

About 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea

1,3-dicyclohexyl-1,3-di(propan-2-yl)urea (PubChem CID 14738091) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1,3-di(propan-2-yl)urea
PubChem CID14738091
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1,3-dicyclohexyl-1,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36N2O/c1-15(2)20(17-11-7-5-8-12-17)19(22)21(16(3)4)18-13-9-6-10-14-18/h15-18H,5-14H2,1-4H3
InChIKeyRALXUJUOTXYSGW-UHFFFAOYSA-N
XLogP5.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea?
The IUPAC name of 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea (CID 14738091) is 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea is CC(C)N(C(=O)N(C(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea?
The InChIKey is RALXUJUOTXYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15(2)20(17-11-7-5-8-12-17)19(22)21(16(3)4)18-13-9-6-10-14-18/h15-18H,5-14H2,1-4H3.
What are the key properties of 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea?
1,3-dicyclohexyl-1,3-di(propan-2-yl)urea has a molecular weight of 308.51 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 14738091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).