1-(dimethylamino)-3-(4-methylphenyl)urea

C10H15N3O — CID 5141660

IUPAC1-(dimethylamino)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NN(C)C)cc1
InChIInChI=1S/C10H15N3O/c1-8-4-6-9(7-5-8)11-10(14)12-13(2)3/h4-7H,1-3H3,(H2,11,12,14)
InChIKeySRSHORSCGVISMG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds2

About 1-(dimethylamino)-3-(4-methylphenyl)urea

1-(dimethylamino)-3-(4-methylphenyl)urea (PubChem CID 5141660) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-methylphenyl)urea
PubChem CID5141660
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(dimethylamino)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NN(C)C)cc1
InChIInChI=1S/C10H15N3O/c1-8-4-6-9(7-5-8)11-10(14)12-13(2)3/h4-7H,1-3H3,(H2,11,12,14)
InChIKeySRSHORSCGVISMG-UHFFFAOYSA-N
XLogP1.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(dimethylamino)-3-(4-methylphenyl)urea (CID 5141660) is 1-(dimethylamino)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(dimethylamino)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(dimethylamino)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NN(C)C)cc1.
What is the InChIKey of 1-(dimethylamino)-3-(4-methylphenyl)urea?
The InChIKey is SRSHORSCGVISMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-6-9(7-5-8)11-10(14)12-13(2)3/h4-7H,1-3H3,(H2,11,12,14).
What are the key properties of 1-(dimethylamino)-3-(4-methylphenyl)urea?
1-(dimethylamino)-3-(4-methylphenyl)urea has a molecular weight of 193.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-methylphenyl)urea is sourced from PubChem (CID 5141660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).