1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea

C19H24N2O2 — CID 108874290

IUPAC1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-14-8-7-9-15(5-2)18(14)21-19(22)20-16-10-12-17(13-11-16)23-6-3/h7-13H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyWKMPJWFCBMWQAZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.85
Rot. Bonds6

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

1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea (PubChem CID 108874290) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
PubChem CID108874290
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-14-8-7-9-15(5-2)18(14)21-19(22)20-16-10-12-17(13-11-16)23-6-3/h7-13H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyWKMPJWFCBMWQAZ-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea (CID 108874290) is 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is WKMPJWFCBMWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-14-8-7-9-15(5-2)18(14)21-19(22)20-16-10-12-17(13-11-16)23-6-3/h7-13H,4-6H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea?
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 108874290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).