1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea

C15H24N2O3 — CID 112972940

IUPAC1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1cccc(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-9-16-15(18)17-10-11-20-14-8-6-7-13(12-14)19-4-2/h6-8,12H,3-5,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyCUAPJSABKBKKKP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.56
Rot. Bonds9

About 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea

1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112972940) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112972940
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1cccc(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-9-16-15(18)17-10-11-20-14-8-6-7-13(12-14)19-4-2/h6-8,12H,3-5,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyCUAPJSABKBKKKP-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
azane;1-ethoxy-3-pentoxybenzene
CID 68858003

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112972940) is 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCCCNC(=O)NCCOc1cccc(OCC)c1.
What is the InChIKey of 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is CUAPJSABKBKKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-9-16-15(18)17-10-11-20-14-8-6-7-13(12-14)19-4-2/h6-8,12H,3-5,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112972940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).