1,1-dimethyl-3-phenylurea

C9H12N2O — CID 7560

IUPAC1,1-dimethyl-3-phenylurea
SMILESCN(C)C(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
InChIKeyXXOYNJXVWVNOOJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.78
Rot. Bonds1

About 1,1-dimethyl-3-phenylurea

1,1-dimethyl-3-phenylurea (PubChem CID 7560) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-phenylurea
PubChem CID7560
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,1-dimethyl-3-phenylurea
SMILESCN(C)C(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
InChIKeyXXOYNJXVWVNOOJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenylurea?
The IUPAC name of 1,1-dimethyl-3-phenylurea (CID 7560) is 1,1-dimethyl-3-phenylurea.
What is the SMILES notation for 1,1-dimethyl-3-phenylurea?
The canonical SMILES for 1,1-dimethyl-3-phenylurea is CN(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-phenylurea?
The InChIKey is XXOYNJXVWVNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12).
What are the key properties of 1,1-dimethyl-3-phenylurea?
1,1-dimethyl-3-phenylurea has a molecular weight of 164.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenylurea is sourced from PubChem (CID 7560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).