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

C20H26N2O4 — CID 108866635

IUPAC1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-6-13-9-8-10-14(7-2)18(13)22-20(23)21-15-11-16(24-3)19(26-5)17(12-15)25-4/h8-12H,6-7H2,1-5H3,(H2,21,22,23)
InChIKeyHNOBCUIZBUACCJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.48
Rot. Bonds7

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

1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 108866635) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID108866635
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-6-13-9-8-10-14(7-2)18(13)22-20(23)21-15-11-16(24-3)19(26-5)17(12-15)25-4/h8-12H,6-7H2,1-5H3,(H2,21,22,23)
InChIKeyHNOBCUIZBUACCJ-UHFFFAOYSA-N
XLogP4.48
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 108866635) is 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is CCc1cccc(CC)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is HNOBCUIZBUACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-6-13-9-8-10-14(7-2)18(13)22-20(23)21-15-11-16(24-3)19(26-5)17(12-15)25-4/h8-12H,6-7H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 108866635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).