1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea

C14H25N3O3 — CID 108913187

IUPAC1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C14H25N3O3/c18-14(16-12-13-2-8-19-9-3-13)15-4-1-5-17-6-10-20-11-7-17/h12H,1-11H2,(H2,15,16,18)
InChIKeyAUHQUBDQRJYPHM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.70
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea

1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913187) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913187
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C14H25N3O3/c18-14(16-12-13-2-8-19-9-3-13)15-4-1-5-17-6-10-20-11-7-17/h12H,1-11H2,(H2,15,16,18)
InChIKeyAUHQUBDQRJYPHM-UHFFFAOYSA-N
XLogP0.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.70
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-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913187) is 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is AUHQUBDQRJYPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-14(16-12-13-2-8-19-9-3-13)15-4-1-5-17-6-10-20-11-7-17/h12H,1-11H2,(H2,15,16,18).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea?
1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 283.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).