(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide

C19H22N4O2 — CID 23459640

IUPAC(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCOc1ccccc1/C(N)=N/C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-24-17-10-6-5-9-16(17)18(20)22-19(23-11-13-25-14-12-23)21-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22)
InChIKeyQMQNDWJXMWEADM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.42
Rot. Bonds3

About (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide

(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide (PubChem CID 23459640) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
PubChem CID23459640
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCOc1ccccc1/C(N)=N/C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-24-17-10-6-5-9-16(17)18(20)22-19(23-11-13-25-14-12-23)21-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22)
InChIKeyQMQNDWJXMWEADM-UHFFFAOYSA-N
XLogP2.42
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide (CID 23459640) is (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide is COc1ccccc1/C(N)=N/C(=N/c1ccccc1)N1CCOCC1.
What is the InChIKey of (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is QMQNDWJXMWEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-17-10-6-5-9-16(17)18(20)22-19(23-11-13-25-14-12-23)21-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22).
What are the key properties of (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 338.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 23459640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).