1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea

C20H25N3O3 — CID 25014697

IUPAC1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h1-3,5-10H,4,11-16H2,(H2,21,22,24)
InChIKeyHTAZKQMMJVVVSK-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.43
Rot. Bonds7

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

1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea (PubChem CID 25014697) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
PubChem CID25014697
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h1-3,5-10H,4,11-16H2,(H2,21,22,24)
InChIKeyHTAZKQMMJVVVSK-UHFFFAOYSA-N
XLogP3.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.43
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-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea (CID 25014697) is 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
The InChIKey is HTAZKQMMJVVVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h1-3,5-10H,4,11-16H2,(H2,21,22,24).
What are the key properties of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea has a molecular weight of 355.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 25014697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).