3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea

C16H18N2O3 — CID 108895597

IUPAC3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1cc(O)cc(O)c1)c1cccc(C)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(13-6-4-5-11(2)7-13)16(21)17-12-8-14(19)10-15(20)9-12/h4-10,19-20H,3H2,1-2H3,(H,17,21)
InChIKeyYFDLXCCVBVLMMP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.46
Rot. Bonds3

About 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea

3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea (PubChem CID 108895597) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
PubChem CID108895597
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1cc(O)cc(O)c1)c1cccc(C)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(13-6-4-5-11(2)7-13)16(21)17-12-8-14(19)10-15(20)9-12/h4-10,19-20H,3H2,1-2H3,(H,17,21)
InChIKeyYFDLXCCVBVLMMP-UHFFFAOYSA-N
XLogP3.46
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992791
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
3-(3,5-dimethylphenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 71821656
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea?
The IUPAC name of 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea (CID 108895597) is 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea?
The canonical SMILES for 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea is CCN(C(=O)Nc1cc(O)cc(O)c1)c1cccc(C)c1.
What is the InChIKey of 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea?
The InChIKey is YFDLXCCVBVLMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(13-6-4-5-11(2)7-13)16(21)17-12-8-14(19)10-15(20)9-12/h4-10,19-20H,3H2,1-2H3,(H,17,21).
What are the key properties of 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea?
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea has a molecular weight of 286.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 108895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).