(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide

C11H20N2O2 — CID 10584663

IUPAC(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
SMILESC/C=C/C(=O)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-6-7-10(14)13(9(4)5)11(15)12-8(2)3/h6-9H,1-5H3,(H,12,15)/b7-6+
InChIKeyYEHIKDIBHXXVFF-VOTSOKGWSA-N
MW212.29 g/mol
LogP1.92
Rot. Bonds3

About (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide

(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide (PubChem CID 10584663) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
PubChem CID10584663
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
SMILESC/C=C/C(=O)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-6-7-10(14)13(9(4)5)11(15)12-8(2)3/h6-9H,1-5H3,(H,12,15)/b7-6+
InChIKeyYEHIKDIBHXXVFF-VOTSOKGWSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide?
The IUPAC name of (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide (CID 10584663) is (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide.
What is the SMILES notation for (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide?
The canonical SMILES for (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide is C/C=C/C(=O)N(C(=O)NC(C)C)C(C)C.
What is the InChIKey of (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide?
The InChIKey is YEHIKDIBHXXVFF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-7-10(14)13(9(4)5)11(15)12-8(2)3/h6-9H,1-5H3,(H,12,15)/b7-6+.
What are the key properties of (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide?
(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide is sourced from PubChem (CID 10584663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).