1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea

C17H19N3O — CID 5418172

IUPAC1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCC(C)c1ccc(/C=N\NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)15-10-8-14(9-11-15)12-18-20-17(21)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,20,21)/b18-12-
InChIKeyUVPSILNKSYIULA-PDGQHHTCSA-N
MW281.36 g/mol
LogP3.97
Rot. Bonds4

About 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea

1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea (PubChem CID 5418172) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
PubChem CID5418172
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCC(C)c1ccc(/C=N\NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)15-10-8-14(9-11-15)12-18-20-17(21)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,20,21)/b18-12-
InChIKeyUVPSILNKSYIULA-PDGQHHTCSA-N
XLogP3.97
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.97
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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Related Compounds

1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
1-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-3-phenylurea
CID 126015956
N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3468743
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea (CID 5418172) is 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea is CC(C)c1ccc(/C=N\NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The InChIKey is UVPSILNKSYIULA-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(2)15-10-8-14(9-11-15)12-18-20-17(21)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,20,21)/b18-12-.
What are the key properties of 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea has a molecular weight of 281.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea is sourced from PubChem (CID 5418172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).