1-cyclohexyl-3-heptylurea

C14H28N2O — CID 4089246

IUPAC1-cyclohexyl-3-heptylurea
SMILESCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-9-12-15-14(17)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,15,16,17)
InChIKeyFTGMRFVJYREUIV-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.59
Rot. Bonds7

About 1-cyclohexyl-3-heptylurea

1-cyclohexyl-3-heptylurea (PubChem CID 4089246) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-heptylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-heptylurea
PubChem CID4089246
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclohexyl-3-heptylurea
SMILESCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-9-12-15-14(17)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,15,16,17)
InChIKeyFTGMRFVJYREUIV-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.59
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-cyclohexyl-3-heptylurea?
The IUPAC name of 1-cyclohexyl-3-heptylurea (CID 4089246) is 1-cyclohexyl-3-heptylurea.
What is the SMILES notation for 1-cyclohexyl-3-heptylurea?
The canonical SMILES for 1-cyclohexyl-3-heptylurea is CCCCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-heptylurea?
The InChIKey is FTGMRFVJYREUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-9-12-15-14(17)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-heptylurea?
1-cyclohexyl-3-heptylurea has a molecular weight of 240.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-heptylurea is sourced from PubChem (CID 4089246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).