1,1-dicyclohexyl-3-propylurea

C16H30N2O — CID 19169939

IUPAC1,1-dicyclohexyl-3-propylurea
SMILESCCCNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyPUXVBNBECGBRQG-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.07
Rot. Bonds4

About 1,1-dicyclohexyl-3-propylurea

1,1-dicyclohexyl-3-propylurea (PubChem CID 19169939) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-propylurea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-propylurea
PubChem CID19169939
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1,1-dicyclohexyl-3-propylurea
SMILESCCCNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyPUXVBNBECGBRQG-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-propylurea?
The IUPAC name of 1,1-dicyclohexyl-3-propylurea (CID 19169939) is 1,1-dicyclohexyl-3-propylurea.
What is the SMILES notation for 1,1-dicyclohexyl-3-propylurea?
The canonical SMILES for 1,1-dicyclohexyl-3-propylurea is CCCNC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-propylurea?
The InChIKey is PUXVBNBECGBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of 1,1-dicyclohexyl-3-propylurea?
1,1-dicyclohexyl-3-propylurea has a molecular weight of 266.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-propylurea is sourced from PubChem (CID 19169939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).