3-phenyl-1,1-di(propan-2-yl)urea

C13H20N2O — CID 791730

IUPAC3-phenyl-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)
InChIKeyPWLKEIDJQXTQCX-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.34
Rot. Bonds3

About 3-phenyl-1,1-di(propan-2-yl)urea

3-phenyl-1,1-di(propan-2-yl)urea (PubChem CID 791730) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-phenyl-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-phenyl-1,1-di(propan-2-yl)urea
PubChem CID791730
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-phenyl-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)
InChIKeyPWLKEIDJQXTQCX-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-phenyl-1,1-di(propan-2-yl)urea (CID 791730) is 3-phenyl-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-phenyl-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-phenyl-1,1-di(propan-2-yl)urea is CC(C)N(C(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of 3-phenyl-1,1-di(propan-2-yl)urea?
The InChIKey is PWLKEIDJQXTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16).
What are the key properties of 3-phenyl-1,1-di(propan-2-yl)urea?
3-phenyl-1,1-di(propan-2-yl)urea has a molecular weight of 220.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 791730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).