1-cyclohexyl-3-(1-phenylpropyl)urea

C16H24N2O — CID 6467735

IUPAC1-cyclohexyl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-9-5-3-6-10-13)18-16(19)17-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H2,17,18,19)
InChIKeyQSZPCLNTVDKPBW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.77
Rot. Bonds4

About 1-cyclohexyl-3-(1-phenylpropyl)urea

1-cyclohexyl-3-(1-phenylpropyl)urea (PubChem CID 6467735) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-phenylpropyl)urea
PubChem CID6467735
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclohexyl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-9-5-3-6-10-13)18-16(19)17-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H2,17,18,19)
InChIKeyQSZPCLNTVDKPBW-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-phenylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-phenylpropyl)urea (CID 6467735) is 1-cyclohexyl-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-phenylpropyl)urea is CCC(NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(1-phenylpropyl)urea?
The InChIKey is QSZPCLNTVDKPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(13-9-5-3-6-10-13)18-16(19)17-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(1-phenylpropyl)urea?
1-cyclohexyl-3-(1-phenylpropyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-phenylpropyl)urea is sourced from PubChem (CID 6467735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).