1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea

C15H23N3O — CID 844453

IUPAC1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)14-10-8-13(9-11-14)17-15(19)16-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,16,17,19)
InChIKeyIXWUMQXBWDIOGQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds3

About 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea

1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea (PubChem CID 844453) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea
PubChem CID844453
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)14-10-8-13(9-11-14)17-15(19)16-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,16,17,19)
InChIKeyIXWUMQXBWDIOGQ-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea (CID 844453) is 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is IXWUMQXBWDIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)14-10-8-13(9-11-14)17-15(19)16-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea?
1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 844453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).