1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea

C18H34N2O — CID 67194883

IUPAC1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)14-19(3)18(21)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3
InChIKeySHYOAZKBPMODNO-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.66
Rot. Bonds4

About 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea

1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea (PubChem CID 67194883) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea
PubChem CID67194883
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)14-19(3)18(21)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3
InChIKeySHYOAZKBPMODNO-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea?
The IUPAC name of 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea (CID 67194883) is 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea is CC(C)CN(C)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea?
The InChIKey is SHYOAZKBPMODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)14-19(3)18(21)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3.
What are the key properties of 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea?
1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea has a molecular weight of 294.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-methyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 67194883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).