1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea

C15H24N2O3 — CID 108990542

IUPAC1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
SMILESCCCCN(C)C(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-4-5-11-17(2)15(18)16-10-12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyNQFDUMOWERNVRY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.52
Rot. Bonds8

About 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea

1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea (PubChem CID 108990542) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
PubChem CID108990542
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
SMILESCCCCN(C)C(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-4-5-11-17(2)15(18)16-10-12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyNQFDUMOWERNVRY-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
CID 86921178
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111158390
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-butyl-1-methylurea
CID 112975151
1-butyl-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1-methylurea
CID 112977192
N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109332567
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386
1-butyl-1-methyl-3-[(4-propylphenoxy)methyl]urea
CID 108879554
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46596303
2-[[butylamino-[2-(4-methoxyphenoxy)ethyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111363577
1-butyl-1,2-dimethyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111158096

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The IUPAC name of 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea (CID 108990542) is 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea.
What is the SMILES notation for 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The canonical SMILES for 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea is CCCCN(C)C(=O)NCCOc1ccc(OC)cc1.
What is the InChIKey of 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
The InChIKey is NQFDUMOWERNVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-11-17(2)15(18)16-10-12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea?
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea is sourced from PubChem (CID 108990542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).