1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

C21H28N2O4 — CID 112975693

IUPAC1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-15-8-7-9-16(6-2)20(15)23-21(24)22-10-11-27-19-13-17(25-3)12-18(14-19)26-4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,22,23,24)
InChIKeyXGLLVZFQTYAUIK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.03
Rot. Bonds9

About 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (PubChem CID 112975693) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
PubChem CID112975693
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-15-8-7-9-16(6-2)20(15)23-21(24)22-10-11-27-19-13-17(25-3)12-18(14-19)26-4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,22,23,24)
InChIKeyXGLLVZFQTYAUIK-UHFFFAOYSA-N
XLogP4.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (CID 112975693) is 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea is CCc1cccc(CC)c1NC(=O)NCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The InChIKey is XGLLVZFQTYAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-15-8-7-9-16(6-2)20(15)23-21(24)22-10-11-27-19-13-17(25-3)12-18(14-19)26-4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea has a molecular weight of 372.47 g/mol, XLogP of 4.03, 9 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-[2-(3,5-dimethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112975693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).