1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea

C15H24N2O2 — CID 112973601

IUPAC1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-5-8-16-15(18)17-9-10-19-14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyDALJYJDQOLZDKD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.78
Rot. Bonds7

About 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea

1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea (PubChem CID 112973601) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
PubChem CID112973601
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-5-8-16-15(18)17-9-10-19-14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyDALJYJDQOLZDKD-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.78
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-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The IUPAC name of 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea (CID 112973601) is 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea is CCCCNC(=O)NCCOc1ccc(C)cc1C.
What is the InChIKey of 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The InChIKey is DALJYJDQOLZDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-8-16-15(18)17-9-10-19-14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112973601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).