1,1-dimethyl-3-(2-propan-2-ylphenyl)urea

C12H18N2O — CID 724039

IUPAC1,1-dimethyl-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)10-7-5-6-8-11(10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
InChIKeyPRVKYSZITFAWTC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.90
Rot. Bonds2

About 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea

1,1-dimethyl-3-(2-propan-2-ylphenyl)urea (PubChem CID 724039) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-propan-2-ylphenyl)urea
PubChem CID724039
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1,1-dimethyl-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)10-7-5-6-8-11(10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
InChIKeyPRVKYSZITFAWTC-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea (CID 724039) is 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea?
The InChIKey is PRVKYSZITFAWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10-7-5-6-8-11(10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea?
1,1-dimethyl-3-(2-propan-2-ylphenyl)urea has a molecular weight of 206.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 724039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).