3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea

C19H24N2O3 — CID 108881752

IUPAC3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
SMILESCc1cccc(C)c1OCCCNC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-14-6-4-7-15(2)18(14)24-13-5-12-20-19(23)21(3)16-8-10-17(22)11-9-16/h4,6-11,22H,5,12-13H2,1-3H3,(H,20,23)
InChIKeyAKWOFFFIZBVZNC-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.62
Rot. Bonds6

About 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea

3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea (PubChem CID 108881752) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
PubChem CID108881752
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
SMILESCc1cccc(C)c1OCCCNC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-14-6-4-7-15(2)18(14)24-13-5-12-20-19(23)21(3)16-8-10-17(22)11-9-16/h4,6-11,22H,5,12-13H2,1-3H3,(H,20,23)
InChIKeyAKWOFFFIZBVZNC-UHFFFAOYSA-N
XLogP3.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
CID 108888950
4-[[3-(2,6-dimethylphenoxy)propylamino]methyl]phenol
CID 122574298
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
3-[3-(4-bromo-2-chlorophenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108882493
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
CID 108506421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea (CID 108881752) is 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea is Cc1cccc(C)c1OCCCNC(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea?
The InChIKey is AKWOFFFIZBVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-6-4-7-15(2)18(14)24-13-5-12-20-19(23)21(3)16-8-10-17(22)11-9-16/h4,6-11,22H,5,12-13H2,1-3H3,(H,20,23).
What are the key properties of 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea?
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea has a molecular weight of 328.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 108881752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).