2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide

C13H16N2O4 — CID 57029495

IUPAC2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide
SMILESC=C(C)C(=O)NC(=O)CC(=C)C(=O)NC(=O)C(=C)C
InChIInChI=1S/C13H16N2O4/c1-7(2)11(17)14-10(16)6-9(5)13(19)15-12(18)8(3)4/h1,3,5-6H2,2,4H3,(H,14,16,17)(H,15,18,19)
InChIKeyUQHCKGBIVUJYRX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds5

About 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide

2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide (PubChem CID 57029495) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide.

Molecular Properties

Compound Name2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide
PubChem CID57029495
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide
SMILESC=C(C)C(=O)NC(=O)CC(=C)C(=O)NC(=O)C(=C)C
InChIInChI=1S/C13H16N2O4/c1-7(2)11(17)14-10(16)6-9(5)13(19)15-12(18)8(3)4/h1,3,5-6H2,2,4H3,(H,14,16,17)(H,15,18,19)
InChIKeyUQHCKGBIVUJYRX-UHFFFAOYSA-N
XLogP0.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-ditert-butyl-2,3-dimethylidenebutanediamide
CID 12441524
N,N'-diethyl-2-methylidenebutanediamide
CID 21561808
acetamide;N-acetyl-2-methylidenebutanamide
CID 21863912
N-acetyl-2-methylidenebutanamide
CID 21863913
N-(2-methylprop-2-enoyl)butanamide
CID 22320855
N'-ethyl-N-methyl-2-methylidenebutanediamide
CID 54547496
2-methylidene-N,N'-di(prop-2-enoyl)butanediamide
CID 57291508
N,N'-dibutyl-2-methylidenebutanediamide
CID 60040661
3-Methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione
CID 66838839
2-methylidene-N-propylbutanediamide
CID 87805288
N-butyl-2-methylidenebutanediamide
CID 87807017
N-ethyl-N'-methyl-2-methylidenebutanediamide
CID 87878216

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide?
The IUPAC name of 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide (CID 57029495) is 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide.
What is the SMILES notation for 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide?
The canonical SMILES for 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide is C=C(C)C(=O)NC(=O)CC(=C)C(=O)NC(=O)C(=C)C.
What is the InChIKey of 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide?
The InChIKey is UQHCKGBIVUJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7(2)11(17)14-10(16)6-9(5)13(19)15-12(18)8(3)4/h1,3,5-6H2,2,4H3,(H,14,16,17)(H,15,18,19).
What are the key properties of 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide?
2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide has a molecular weight of 264.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide is sourced from PubChem (CID 57029495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).