1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea

C17H26N2O — CID 108903063

IUPAC1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H2,18,19,20)
InChIKeyNLKUMZBKRNRLSG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds6

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

1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea (PubChem CID 108903063) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea
PubChem CID108903063
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H2,18,19,20)
InChIKeyNLKUMZBKRNRLSG-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea (CID 108903063) is 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea?
The InChIKey is NLKUMZBKRNRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H2,18,19,20).
What are the key properties of 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea?
1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea has a molecular weight of 274.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).