1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea

C16H18N4O — CID 6875641

IUPAC1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
SMILESCN(C)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O/c1-20(2)15-10-8-13(9-11-15)12-17-19-16(21)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,18,19,21)/b17-12+
InChIKeyIEEFGBXGKYJROG-SFQUDFHCSA-N
MW282.35 g/mol
LogP2.91
Rot. Bonds4

About 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea (PubChem CID 6875641) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
PubChem CID6875641
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
SMILESCN(C)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O/c1-20(2)15-10-8-13(9-11-15)12-17-19-16(21)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,18,19,21)/b17-12+
InChIKeyIEEFGBXGKYJROG-SFQUDFHCSA-N
XLogP2.91
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
1-[(Z)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]-3-phenylurea
CID 6280000
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
1-(3-chloro-2-methylphenyl)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]urea
CID 6479794
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea (CID 6875641) is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea is CN(C)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea?
The InChIKey is IEEFGBXGKYJROG-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)15-10-8-13(9-11-15)12-17-19-16(21)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,18,19,21)/b17-12+.
What are the key properties of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea?
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea has a molecular weight of 282.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 6875641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).