(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

C20H26N4O5 — CID 66630041

IUPAC(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN1CCCC1=N/C(=N/c1ccccc1)N1CCOCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H22N4O.C4H4O4/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14;5-3(6)1-2-4(7)8/h2-4,6-7H,5,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b17-16-,18-15?;2-1+
InChIKeyZSAMTXUUUFXIII-UBWVEHNRSA-N
MW402.45 g/mol
LogP1.84
Rot. Bonds3

About (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 66630041) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID66630041
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN1CCCC1=N/C(=N/c1ccccc1)N1CCOCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H22N4O.C4H4O4/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14;5-3(6)1-2-4(7)8/h2-4,6-7H,5,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b17-16-,18-15?;2-1+
InChIKeyZSAMTXUUUFXIII-UBWVEHNRSA-N
XLogP1.84
TPSA115.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide 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

N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide
CID 56989201
(E)-but-2-enedioic acid;N-(3-methyl-1,3-oxazolidin-2-ylidene)-N'-phenylpyrrolidine-1-carboximidamide
CID 70510611
(Z)-but-2-enedioic acid;N-(2,5-dimethyl-1,2-oxazolidin-3-ylidene)-N'-phenylpyrrolidine-1-carboximidamide
CID 70595551
CID 146162313
CID 146162313
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 54480757
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N-(1-methylazepan-2-ylidene)benzamide
CID 2345180
N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide
CID 70511244
N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
CID 70512126
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide
CID 70599632

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (CID 66630041) is (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is CN1CCCC1=N/C(=N/c1ccccc1)N1CCOCC1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is ZSAMTXUUUFXIII-UBWVEHNRSA-N. The full InChI is InChI=1S/C16H22N4O.C4H4O4/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14;5-3(6)1-2-4(7)8/h2-4,6-7H,5,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b17-16-,18-15?;2-1+.
What are the key properties of (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 402.45 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 66630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).