1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

C15H24N2O2 — CID 112974537

IUPAC1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCCCNC(=O)NCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-6-16-15(18)17-7-8-19-14-12(3)9-11(2)10-13(14)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyHYAAFASAOLVGPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.70
Rot. Bonds6

About 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974537) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
PubChem CID112974537
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCCCNC(=O)NCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-6-16-15(18)17-7-8-19-14-12(3)9-11(2)10-13(14)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyHYAAFASAOLVGPA-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
1-(pyridin-2-ylmethyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974576
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
ethyl 2-[2-(2,4,6-trimethylphenoxy)ethylcarbamoylamino]benzoate
CID 112974677
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (CID 112974537) is 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is CCCNC(=O)NCCOc1c(C)cc(C)cc1C.
What is the InChIKey of 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The InChIKey is HYAAFASAOLVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-16-15(18)17-7-8-19-14-12(3)9-11(2)10-13(14)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).