1-ethyl-1-hexyl-3-phenylurea

C15H24N2O — CID 168918798

IUPAC1-ethyl-1-hexyl-3-phenylurea
SMILESCCCCCCN(CC)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-5-6-10-13-17(4-2)15(18)16-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3,(H,16,18)
InChIKeyOPJKBHGJBMMCAO-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.12
Rot. Bonds7

About 1-ethyl-1-hexyl-3-phenylurea

1-ethyl-1-hexyl-3-phenylurea (PubChem CID 168918798) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethyl-1-hexyl-3-phenylurea.

Molecular Properties

Compound Name1-ethyl-1-hexyl-3-phenylurea
PubChem CID168918798
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-ethyl-1-hexyl-3-phenylurea
SMILESCCCCCCN(CC)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-5-6-10-13-17(4-2)15(18)16-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3,(H,16,18)
InChIKeyOPJKBHGJBMMCAO-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-nonadec-18-enyl-1-octadecyl-3-phenylurea
CID 174569581
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea;(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 70451898
1-benzyl-3-phenyl-1-propylurea
CID 78786424
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-hexyl-3-phenylurea
CID 141337922
N-phenylheptatetracontanamide
CID 150503307
1,1-dibutyl-3-phenylthiourea
CID 3101699
N-phenylpentacosanamide
CID 19025260
S-heptyl N-phenylcarbamothioate
CID 118643411

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-hexyl-3-phenylurea?
The IUPAC name of 1-ethyl-1-hexyl-3-phenylurea (CID 168918798) is 1-ethyl-1-hexyl-3-phenylurea.
What is the SMILES notation for 1-ethyl-1-hexyl-3-phenylurea?
The canonical SMILES for 1-ethyl-1-hexyl-3-phenylurea is CCCCCCN(CC)C(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-1-hexyl-3-phenylurea?
The InChIKey is OPJKBHGJBMMCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-6-10-13-17(4-2)15(18)16-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3,(H,16,18).
What are the key properties of 1-ethyl-1-hexyl-3-phenylurea?
1-ethyl-1-hexyl-3-phenylurea has a molecular weight of 248.37 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-hexyl-3-phenylurea is sourced from PubChem (CID 168918798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).