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

C15H22N2O2 — CID 112974243

IUPAC1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)NC2CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-8-16-15(18)17-13-6-7-13/h4-5,13H,6-9H2,1-3H3,(H2,16,17,18)
InChIKeyAEZPFMZUEIJIAU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds5

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

1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974243) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
PubChem CID112974243
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)NC2CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-8-16-15(18)17-13-6-7-13/h4-5,13H,6-9H2,1-3H3,(H2,16,17,18)
InChIKeyAEZPFMZUEIJIAU-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
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-(oxolan-2-ylmethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974257
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
1-(2-methylpropyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974246
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-[(4-fluorophenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974273
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974359

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea (CID 112974243) is 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea is Cc1ccc(C)c(OCCNC(=O)NC2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The InChIKey is AEZPFMZUEIJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-8-16-15(18)17-13-6-7-13/h4-5,13H,6-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).