[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea

C13H16N4O3 — CID 168533261

IUPAC[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N4O3/c14-13(19)16-15-9-10-1-3-11(4-2-10)12(18)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H3,14,16,19)
InChIKeyVMMBVJWSWUWGCB-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.16
Rot. Bonds3

About [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea

[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea (PubChem CID 168533261) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
PubChem CID168533261
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N4O3/c14-13(19)16-15-9-10-1-3-11(4-2-10)12(18)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H3,14,16,19)
InChIKeyVMMBVJWSWUWGCB-UHFFFAOYSA-N
XLogP0.16
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea (CID 168533261) is [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea?
The InChIKey is VMMBVJWSWUWGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-13(19)16-15-9-10-1-3-11(4-2-10)12(18)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H3,14,16,19).
What are the key properties of [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea?
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea has a molecular weight of 276.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).