1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea

C19H23N3O — CID 77105066

IUPAC1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1cccc(C)c1NC(=O)N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)17-10-8-16(9-11-17)12-20-22-19(23)21-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H2,21,22,23)/b20-12+
InChIKeyOECHWUOHRLHWLH-UDWIEESQSA-N
MW309.41 g/mol
LogP4.58
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea

1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea (PubChem CID 77105066) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea
PubChem CID77105066
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1cccc(C)c1NC(=O)N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)17-10-8-16(9-11-17)12-20-22-19(23)21-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H2,21,22,23)/b20-12+
InChIKeyOECHWUOHRLHWLH-UDWIEESQSA-N
XLogP4.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea (CID 77105066) is 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea is Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea?
The InChIKey is OECHWUOHRLHWLH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)17-10-8-16(9-11-17)12-20-22-19(23)21-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H2,21,22,23)/b20-12+.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea?
1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea has a molecular weight of 309.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea is sourced from PubChem (CID 77105066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).