1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea

C19H24N2O3 — CID 108881813

IUPAC1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCCOc2c(C)cccc2C)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-16(17(22)12-13)21-19(23)20-10-5-11-24-18-14(2)6-4-7-15(18)3/h4,6-9,12,22H,5,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyONXHUCANDDTDFP-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.91
Rot. Bonds6

About 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea

1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea (PubChem CID 108881813) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
PubChem CID108881813
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCCOc2c(C)cccc2C)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-16(17(22)12-13)21-19(23)20-10-5-11-24-18-14(2)6-4-7-15(18)3/h4,6-9,12,22H,5,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyONXHUCANDDTDFP-UHFFFAOYSA-N
XLogP3.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
1-(2-chloro-5-nitrophenyl)-3-[3-(2,6-dimethylphenoxy)propyl]urea
CID 108881637
ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
CID 10468107
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea (CID 108881813) is 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea is Cc1ccc(NC(=O)NCCCOc2c(C)cccc2C)c(O)c1.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea?
The InChIKey is ONXHUCANDDTDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-9-16(17(22)12-13)21-19(23)20-10-5-11-24-18-14(2)6-4-7-15(18)3/h4,6-9,12,22H,5,10-11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea?
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea is sourced from PubChem (CID 108881813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).