ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea

C17H22N2O — CID 144571774

IUPACethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
SMILESCC.Cc1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O.C2H6/c1-11-6-8-13(9-7-11)16-15(18)17-14-5-3-4-12(2)10-14;1-2/h3-10H,1-2H3,(H2,16,17,18);1-2H3
InChIKeyIAHUTNKFPSRDOX-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.97
Rot. Bonds2

About ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea

ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea (PubChem CID 144571774) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
PubChem CID144571774
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Nameethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
SMILESCC.Cc1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O.C2H6/c1-11-6-8-13(9-7-11)16-15(18)17-14-5-3-4-12(2)10-14;1-2/h3-10H,1-2H3,(H2,16,17,18);1-2H3
InChIKeyIAHUTNKFPSRDOX-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22441702
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N-(3-methylphenyl)acetamide
CID 10843
[4-[(3-methylphenyl)carbamoylamino]phenyl] thiocyanate
CID 108887985

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea (CID 144571774) is ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea is CC.Cc1ccc(NC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is IAHUTNKFPSRDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C2H6/c1-11-6-8-13(9-7-11)16-15(18)17-14-5-3-4-12(2)10-14;1-2/h3-10H,1-2H3,(H2,16,17,18);1-2H3.
What are the key properties of ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea?
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 270.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 144571774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).