1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea

C20H24ClN3O3 — CID 25014775

IUPAC1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O3/c21-16-2-4-17(5-3-16)22-20(25)23-18-6-8-19(9-7-18)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-15H2,(H2,22,23,25)
InChIKeyRXOXDSRWZBURHI-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea

1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25014775) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25014775
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O3/c21-16-2-4-17(5-3-16)22-20(25)23-18-6-8-19(9-7-18)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-15H2,(H2,22,23,25)
InChIKeyRXOXDSRWZBURHI-UHFFFAOYSA-N
XLogP4.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25014775) is 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is RXOXDSRWZBURHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-16-2-4-17(5-3-16)22-20(25)23-18-6-8-19(9-7-18)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-15H2,(H2,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 389.88 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25014775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).