1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea

C13H19N3O2 — CID 3059268

IUPAC1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-9-7-5-6-8-10(9)15-12(18)16(11(14)17)13(2,3)4/h5-8H,1-4H3,(H2,14,17)(H,15,18)
InChIKeyIYEFJBZXJPNGIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.71
Rot. Bonds1

About 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea

1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea (PubChem CID 3059268) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea
PubChem CID3059268
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-9-7-5-6-8-10(9)15-12(18)16(11(14)17)13(2,3)4/h5-8H,1-4H3,(H2,14,17)(H,15,18)
InChIKeyIYEFJBZXJPNGIQ-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)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-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea?
The IUPAC name of 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea (CID 3059268) is 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(C(N)=O)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea?
The InChIKey is IYEFJBZXJPNGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-5-6-8-10(9)15-12(18)16(11(14)17)13(2,3)4/h5-8H,1-4H3,(H2,14,17)(H,15,18).
What are the key properties of 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea?
1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea has a molecular weight of 249.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 3059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).