1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea

C17H20N2O — CID 17279836

IUPAC1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C17H20N2O/c1-11-8-12(2)10-15(9-11)18-17(20)19-16-7-5-6-13(3)14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyKIKBBYFMRSNFIE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.56
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea

1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 17279836) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID17279836
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C17H20N2O/c1-11-8-12(2)10-15(9-11)18-17(20)19-16-7-5-6-13(3)14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyKIKBBYFMRSNFIE-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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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea (CID 17279836) is 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is KIKBBYFMRSNFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-8-12(2)10-15(9-11)18-17(20)19-16-7-5-6-13(3)14(16)4/h5-10H,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea?
1-(2,3-dimethylphenyl)-3-(3,5-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-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 17279836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).