1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea

C19H24N2O — CID 720732

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(22)20-15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21,22)
InChIKeyHLGROQBDTIFHFA-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.58
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea

1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea (PubChem CID 720732) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea
PubChem CID720732
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(22)20-15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21,22)
InChIKeyHLGROQBDTIFHFA-UHFFFAOYSA-N
XLogP5.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea (CID 720732) is 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea?
The InChIKey is HLGROQBDTIFHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(22)20-15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea has a molecular weight of 296.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 720732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).