1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea

C20H26N2O3 — CID 86883297

IUPAC1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCCc1cccc(O)c1
InChIInChI=1S/C20H26N2O3/c1-15-6-3-7-16(2)19(15)25-13-5-11-21-20(24)22-12-10-17-8-4-9-18(23)14-17/h3-4,6-9,14,23H,5,10-13H2,1-2H3,(H2,21,22,24)
InChIKeyOTCQHLBIJATDQN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.32
Rot. Bonds8

About 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea

1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea (PubChem CID 86883297) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
PubChem CID86883297
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCCc1cccc(O)c1
InChIInChI=1S/C20H26N2O3/c1-15-6-3-7-16(2)19(15)25-13-5-11-21-20(24)22-12-10-17-8-4-9-18(23)14-17/h3-4,6-9,14,23H,5,10-13H2,1-2H3,(H2,21,22,24)
InChIKeyOTCQHLBIJATDQN-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018
1-[2-(3-methoxyphenyl)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974288
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108881813

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea (CID 86883297) is 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea is Cc1cccc(C)c1OCCCNC(=O)NCCc1cccc(O)c1.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is OTCQHLBIJATDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-6-3-7-16(2)19(15)25-13-5-11-21-20(24)22-12-10-17-8-4-9-18(23)14-17/h3-4,6-9,14,23H,5,10-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea?
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.32, 8 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-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 86883297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).