1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea

C18H20N4O2 — CID 135415521

IUPAC1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea
SMILESO=C(N/C(=N\c1ccccc1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H20N4O2/c23-18(20-16-9-5-2-6-10-16)21-17(22-11-13-24-14-12-22)19-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,19,20,21,23)
InChIKeyJHSJBKOPQJXJGT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds2

About 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea

1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea (PubChem CID 135415521) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea.

Molecular Properties

Compound Name1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea
PubChem CID135415521
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea
SMILESO=C(N/C(=N\c1ccccc1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H20N4O2/c23-18(20-16-9-5-2-6-10-16)21-17(22-11-13-24-14-12-22)19-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,19,20,21,23)
InChIKeyJHSJBKOPQJXJGT-UHFFFAOYSA-N
XLogP2.83
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea?
The IUPAC name of 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea (CID 135415521) is 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea.
What is the SMILES notation for 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea?
The canonical SMILES for 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea is O=C(N/C(=N\c1ccccc1)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea?
The InChIKey is JHSJBKOPQJXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(20-16-9-5-2-6-10-16)21-17(22-11-13-24-14-12-22)19-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,19,20,21,23).
What are the key properties of 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea?
1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea has a molecular weight of 324.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C-morpholin-4-yl-N-phenylcarbonimidoyl)-3-phenylurea is sourced from PubChem (CID 135415521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).