1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea

C21H28N2O4 — CID 108869770

IUPAC1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O4/c1-5-15-9-11-16(12-10-15)22-21(24)23-17-13-18(25-6-2)20(27-8-4)19(14-17)26-7-3/h9-14H,5-8H2,1-4H3,(H2,22,23,24)
InChIKeyXJCWODBRAHSZCI-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.09
Rot. Bonds9

About 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea

1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869770) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869770
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O4/c1-5-15-9-11-16(12-10-15)22-21(24)23-17-13-18(25-6-2)20(27-8-4)19(14-17)26-7-3/h9-14H,5-8H2,1-4H3,(H2,22,23,24)
InChIKeyXJCWODBRAHSZCI-UHFFFAOYSA-N
XLogP5.09
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869694
4-[(3,4,5-triethoxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108869615
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869954
1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869673
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea (CID 108869770) is 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is XJCWODBRAHSZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-15-9-11-16(12-10-15)22-21(24)23-17-13-18(25-6-2)20(27-8-4)19(14-17)26-7-3/h9-14H,5-8H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 372.47 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).