1-phenyl-3-[(E)-1-phenylhexylideneamino]urea

C19H23N3O — CID 6373500

IUPAC1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
SMILESCCCCC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+
InChIKeyGXGJRWREFVKRBH-DYTRJAOYSA-N
MW309.41 g/mol
LogP4.79
Rot. Bonds7

About 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea

1-phenyl-3-[(E)-1-phenylhexylideneamino]urea (PubChem CID 6373500) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
PubChem CID6373500
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
SMILESCCCCC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+
InChIKeyGXGJRWREFVKRBH-DYTRJAOYSA-N
XLogP4.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea (CID 6373500) is 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea is CCCCC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea?
The InChIKey is GXGJRWREFVKRBH-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+.
What are the key properties of 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea?
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea has a molecular weight of 309.41 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-1-phenylhexylideneamino]urea is sourced from PubChem (CID 6373500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).