(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide

C11H19N3O2 — CID 155036946

IUPAC(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide
SMILESC/C=N/C(=C\NC)C(=O)NC(C)(C)C(C)=O
InChIInChI=1S/C11H19N3O2/c1-6-13-9(7-12-5)10(16)14-11(3,4)8(2)15/h6-7,12H,1-5H3,(H,14,16)/b9-7-,13-6+
InChIKeyUTBWSSYGMLHLJW-UTHPIEKSSA-N
MW225.29 g/mol
LogP0.62
Rot. Bonds5

About (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide

(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide (PubChem CID 155036946) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide
PubChem CID155036946
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide
SMILESC/C=N/C(=C\NC)C(=O)NC(C)(C)C(C)=O
InChIInChI=1S/C11H19N3O2/c1-6-13-9(7-12-5)10(16)14-11(3,4)8(2)15/h6-7,12H,1-5H3,(H,14,16)/b9-7-,13-6+
InChIKeyUTBWSSYGMLHLJW-UTHPIEKSSA-N
XLogP0.62
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide (CID 155036946) is (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide is C/C=N/C(=C\NC)C(=O)NC(C)(C)C(C)=O.
What is the InChIKey of (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide?
The InChIKey is UTBWSSYGMLHLJW-UTHPIEKSSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6-13-9(7-12-5)10(16)14-11(3,4)8(2)15/h6-7,12H,1-5H3,(H,14,16)/b9-7-,13-6+.
What are the key properties of (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide?
(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide is sourced from PubChem (CID 155036946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).