1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea

C16H26N2O — CID 10659432

IUPAC1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
SMILES[2H]C([2H])(CCCCCC)C([2H])([2H])CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H2,17,18,19)/i7D2,11D2
InChIKeyCYEAILAUJANBMT-HTIMLBFPSA-N
MW266.42 g/mol
LogP4.56
Rot. Bonds9

About 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea

1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea (PubChem CID 10659432) has the molecular formula C16H26N2O and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
PubChem CID10659432
Molecular FormulaC16H26N2O
Molecular Weight266.42 g/mol
Exact Mass266.23
IUPAC Name1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
SMILES[2H]C([2H])(CCCCCC)C([2H])([2H])CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H2,17,18,19)/i7D2,11D2
InChIKeyCYEAILAUJANBMT-HTIMLBFPSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.56
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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Related Compounds

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1-(octanoylamino)-3-phenylurea
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1-(4-fluorophenyl)-3-octadecylurea
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1-(3-chlorophenyl)-3-undecylurea
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1-(4-heptylphenyl)-3-propylurea
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N-phenylpentacosanamide
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N-phenylheptatetracontanamide
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1-ethyl-3-phenylurea;N-ethylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea?
The IUPAC name of 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea (CID 10659432) is 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea.
What is the SMILES notation for 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea?
The canonical SMILES for 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea is [2H]C([2H])(CCCCCC)C([2H])([2H])CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea?
The InChIKey is CYEAILAUJANBMT-HTIMLBFPSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H2,17,18,19)/i7D2,11D2.
What are the key properties of 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea?
1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea has a molecular weight of 266.42 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea is sourced from PubChem (CID 10659432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).