1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea

C19H24N2O4 — CID 108866639

IUPAC1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-6-13-9-7-8-12(2)17(13)21-19(22)20-14-10-15(23-3)18(25-5)16(11-14)24-4/h7-11H,6H2,1-5H3,(H2,20,21,22)
InChIKeyDWULRIDIMUJVPL-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.23
Rot. Bonds6

About 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 108866639) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID108866639
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-6-13-9-7-8-12(2)17(13)21-19(22)20-14-10-15(23-3)18(25-5)16(11-14)24-4/h7-11H,6H2,1-5H3,(H2,20,21,22)
InChIKeyDWULRIDIMUJVPL-UHFFFAOYSA-N
XLogP4.23
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(2,6-dimethylphenyl)urea;1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 162197940
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
2-(5-acetamido-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965842
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 108866639) is 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is CCc1cccc(C)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is DWULRIDIMUJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-13-9-7-8-12(2)17(13)21-19(22)20-14-10-15(23-3)18(25-5)16(11-14)24-4/h7-11H,6H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 108866639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).