[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea

C16H20N4O2 — CID 23341695

IUPAC[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea
SMILESCc1cc(Nc2ccc(N(C)C)cc2)c(NC(N)=O)cc1O
InChIInChI=1S/C16H20N4O2/c1-10-8-13(14(9-15(10)21)19-16(17)22)18-11-4-6-12(7-5-11)20(2)3/h4-9,18,21H,1-3H3,(H3,17,19,22)
InChIKeyVOPRKRJDWKCMCQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.00
Rot. Bonds4

About [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea

[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea (PubChem CID 23341695) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea
PubChem CID23341695
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea
SMILESCc1cc(Nc2ccc(N(C)C)cc2)c(NC(N)=O)cc1O
InChIInChI=1S/C16H20N4O2/c1-10-8-13(14(9-15(10)21)19-16(17)22)18-11-4-6-12(7-5-11)20(2)3/h4-9,18,21H,1-3H3,(H3,17,19,22)
InChIKeyVOPRKRJDWKCMCQ-UHFFFAOYSA-N
XLogP3.00
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea?
The IUPAC name of [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea (CID 23341695) is [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea is Cc1cc(Nc2ccc(N(C)C)cc2)c(NC(N)=O)cc1O.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea?
The InChIKey is VOPRKRJDWKCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-13(14(9-15(10)21)19-16(17)22)18-11-4-6-12(7-5-11)20(2)3/h4-9,18,21H,1-3H3,(H3,17,19,22).
What are the key properties of [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea?
[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea is sourced from PubChem (CID 23341695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).