1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea

C17H28ClN3O2 — CID 3070384

IUPAC1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea
SMILESCCCOCC(CNC(=O)Nc1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C17H28ClN3O2/c1-4-11-23-13-16(21(5-2)6-3)12-19-17(22)20-15-9-7-14(18)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3,(H2,19,20,22)
InChIKeyJULALFIMDRMIFZ-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.60
Rot. Bonds10

About 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea

1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea (PubChem CID 3070384) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea
PubChem CID3070384
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea
SMILESCCCOCC(CNC(=O)Nc1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C17H28ClN3O2/c1-4-11-23-13-16(21(5-2)6-3)12-19-17(22)20-15-9-7-14(18)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3,(H2,19,20,22)
InChIKeyJULALFIMDRMIFZ-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea (CID 3070384) is 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea is CCCOCC(CNC(=O)Nc1ccc(Cl)cc1)N(CC)CC.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea?
The InChIKey is JULALFIMDRMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2/c1-4-11-23-13-16(21(5-2)6-3)12-19-17(22)20-15-9-7-14(18)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea?
1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea has a molecular weight of 341.88 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea is sourced from PubChem (CID 3070384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).