1-hexyl-3-naphthalen-2-ylurea

C17H22N2O — CID 11054753

IUPAC1-hexyl-3-naphthalen-2-ylurea
SMILESCCCCCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-2-3-4-7-12-18-17(20)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,18,19,20)
InChIKeySVTQXGNMMWREPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.54
Rot. Bonds6

About 1-hexyl-3-naphthalen-2-ylurea

1-hexyl-3-naphthalen-2-ylurea (PubChem CID 11054753) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-hexyl-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-hexyl-3-naphthalen-2-ylurea
PubChem CID11054753
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-hexyl-3-naphthalen-2-ylurea
SMILESCCCCCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-2-3-4-7-12-18-17(20)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,18,19,20)
InChIKeySVTQXGNMMWREPP-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.54
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-hexyl-3-naphthalen-2-ylurea?
The IUPAC name of 1-hexyl-3-naphthalen-2-ylurea (CID 11054753) is 1-hexyl-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-hexyl-3-naphthalen-2-ylurea?
The canonical SMILES for 1-hexyl-3-naphthalen-2-ylurea is CCCCCCNC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-hexyl-3-naphthalen-2-ylurea?
The InChIKey is SVTQXGNMMWREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-4-7-12-18-17(20)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,18,19,20).
What are the key properties of 1-hexyl-3-naphthalen-2-ylurea?
1-hexyl-3-naphthalen-2-ylurea has a molecular weight of 270.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-naphthalen-2-ylurea is sourced from PubChem (CID 11054753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).