1,3-bis(2,4-dimethylphenyl)urea

C17H20N2O — CID 800968

IUPAC1,3-bis(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-5-7-15(13(3)9-11)18-17(20)19-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyNVFVYWVOXRSTQB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.56
Rot. Bonds2

About 1,3-bis(2,4-dimethylphenyl)urea

1,3-bis(2,4-dimethylphenyl)urea (PubChem CID 800968) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,3-bis(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1,3-bis(2,4-dimethylphenyl)urea
PubChem CID800968
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,3-bis(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-5-7-15(13(3)9-11)18-17(20)19-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyNVFVYWVOXRSTQB-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4-dimethylphenyl)urea?
The IUPAC name of 1,3-bis(2,4-dimethylphenyl)urea (CID 800968) is 1,3-bis(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1,3-bis(2,4-dimethylphenyl)urea?
The canonical SMILES for 1,3-bis(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1,3-bis(2,4-dimethylphenyl)urea?
The InChIKey is NVFVYWVOXRSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-7-15(13(3)9-11)18-17(20)19-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,18,19,20).
What are the key properties of 1,3-bis(2,4-dimethylphenyl)urea?
1,3-bis(2,4-dimethylphenyl)urea has a molecular weight of 268.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4-dimethylphenyl)urea is sourced from PubChem (CID 800968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).