1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea

C16H18N2O2 — CID 16640797

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-7-13(8-5-11)17-16(19)18-14-10-12(2)6-9-15(14)20-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyOAJXDRBYEHRPGR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea

1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea (PubChem CID 16640797) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
PubChem CID16640797
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-7-13(8-5-11)17-16(19)18-14-10-12(2)6-9-15(14)20-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyOAJXDRBYEHRPGR-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 46381160
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
CID 2205372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea (CID 16640797) is 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is OAJXDRBYEHRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-7-13(8-5-11)17-16(19)18-14-10-12(2)6-9-15(14)20-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea?
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 16640797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).