(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide

C11H20N4O2 — CID 118617256

IUPAC(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide
SMILESCC(=O)N(C)CCC/N=C/N/C=C\CC(N)=O
InChIInChI=1S/C11H20N4O2/c1-10(16)15(2)8-4-7-14-9-13-6-3-5-11(12)17/h3,6,9H,4-5,7-8H2,1-2H3,(H2,12,17)(H,13,14)/b6-3-
InChIKeyVQXNNMMATHPGMX-UTCJRWHESA-N
MW240.31 g/mol
LogP-0.14
Rot. Bonds8

About (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide

(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide (PubChem CID 118617256) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide.

Molecular Properties

Compound Name(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide
PubChem CID118617256
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide
SMILESCC(=O)N(C)CCC/N=C/N/C=C\CC(N)=O
InChIInChI=1S/C11H20N4O2/c1-10(16)15(2)8-4-7-14-9-13-6-3-5-11(12)17/h3,6,9H,4-5,7-8H2,1-2H3,(H2,12,17)(H,13,14)/b6-3-
InChIKeyVQXNNMMATHPGMX-UTCJRWHESA-N
XLogP-0.14
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide?
The IUPAC name of (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide (CID 118617256) is (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide.
What is the SMILES notation for (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide?
The canonical SMILES for (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide is CC(=O)N(C)CCC/N=C/N/C=C\CC(N)=O.
What is the InChIKey of (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide?
The InChIKey is VQXNNMMATHPGMX-UTCJRWHESA-N. The full InChI is InChI=1S/C11H20N4O2/c1-10(16)15(2)8-4-7-14-9-13-6-3-5-11(12)17/h3,6,9H,4-5,7-8H2,1-2H3,(H2,12,17)(H,13,14)/b6-3-.
What are the key properties of (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide?
(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide has a molecular weight of 240.31 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide is sourced from PubChem (CID 118617256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).