[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate

C13H17N3O4 — CID 2746750

IUPAC[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate
SMILESCOc1ccc(C(N)=NOC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17N3O4/c1-18-11-4-2-10(3-5-11)12(14)15-20-13(17)16-6-8-19-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyCLOWPMANDHLQJB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.78
Rot. Bonds3

About [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate

[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate (PubChem CID 2746750) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate.

Molecular Properties

Compound Name[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate
PubChem CID2746750
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate
SMILESCOc1ccc(C(N)=NOC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17N3O4/c1-18-11-4-2-10(3-5-11)12(14)15-20-13(17)16-6-8-19-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyCLOWPMANDHLQJB-UHFFFAOYSA-N
XLogP0.78
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[2-(4-Carbamimidoylphenoxy)ethyl-ethylamino]ethoxy]benzenecarboximidamide;trihydrochloride
CID 145992643
4-[2-[2-(4-Carbamimidoylphenoxy)ethyl-methylamino]ethoxy]benzenecarboximidamide;dihydrochloride
CID 57327967
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate
CID 9581143
4-[2-(Dimethylamino)ethoxy]benzene-1-carboximidamide
CID 24705040
[[amino-[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
CID 2743595
[(E)-[amino-[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
CID 5703881
[(Z)-[amino-[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
CID 9580818
4-[2-[2-(4-Carbamimidoylphenoxy)ethyl-methylamino]ethoxy]benzenecarboximidamide;hydrochloride
CID 90680788
[(Z)-[amino-(3,4-dimethoxyphenyl)methylene]amino] morpholine-4-carboxylate
CID 9587479
4-Benzyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-one
CID 3228080
3-(4-Methoxyphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 6624046
4-methoxybenzaldehyde O-[2-(4-morpholinyl)-2-oxoethyl]oxime
CID 6895926

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate?
The IUPAC name of [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate (CID 2746750) is [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate.
What is the SMILES notation for [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate?
The canonical SMILES for [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate is COc1ccc(C(N)=NOC(=O)N2CCOCC2)cc1.
What is the InChIKey of [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate?
The InChIKey is CLOWPMANDHLQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-18-11-4-2-10(3-5-11)12(14)15-20-13(17)16-6-8-19-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15).
What are the key properties of [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate?
[[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-methoxyphenyl)methylidene]amino] morpholine-4-carboxylate is sourced from PubChem (CID 2746750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).