1,1-bis(2-methylphenyl)urea

C15H16N2O — CID 3049256

IUPAC1,1-bis(2-methylphenyl)urea
SMILESCc1ccccc1N(C(N)=O)c1ccccc1C
InChIInChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)17(15(16)18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,18)
InChIKeyUUDHOBLDAUSWQZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.52
Rot. Bonds2

About 1,1-bis(2-methylphenyl)urea

1,1-bis(2-methylphenyl)urea (PubChem CID 3049256) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1-bis(2-methylphenyl)urea.

Molecular Properties

Compound Name1,1-bis(2-methylphenyl)urea
PubChem CID3049256
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,1-bis(2-methylphenyl)urea
SMILESCc1ccccc1N(C(N)=O)c1ccccc1C
InChIInChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)17(15(16)18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,18)
InChIKeyUUDHOBLDAUSWQZ-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-1-(6-methyl-3-pyridinyl)urea
CID 57201997
1-(2-hydroxyethyl)-1-(2-methylphenyl)urea
CID 14685232
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
CID 175418478
2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid
CID 57048541
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N'-amino-N'-(2-methylphenyl)acetohydrazide
CID 141294886
(2-methylphenyl)-oxidocarbamic acid
CID 131721115
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
1-(2-methylphenyl)-1-[5-(2-methylpropylsulfanyl)-2-sulfanyl-1,2,4-triazol-3-yl]urea
CID 141483983
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylphenyl)urea?
The IUPAC name of 1,1-bis(2-methylphenyl)urea (CID 3049256) is 1,1-bis(2-methylphenyl)urea.
What is the SMILES notation for 1,1-bis(2-methylphenyl)urea?
The canonical SMILES for 1,1-bis(2-methylphenyl)urea is Cc1ccccc1N(C(N)=O)c1ccccc1C.
What is the InChIKey of 1,1-bis(2-methylphenyl)urea?
The InChIKey is UUDHOBLDAUSWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)17(15(16)18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,18).
What are the key properties of 1,1-bis(2-methylphenyl)urea?
1,1-bis(2-methylphenyl)urea has a molecular weight of 240.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylphenyl)urea is sourced from PubChem (CID 3049256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).