2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide

C12H20N2O4 — CID 20715374

IUPAC2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(OC)C(OC)C(=O)NCC=C
InChIInChI=1S/C12H20N2O4/c1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16)
InChIKeyLVTQBTZCLUQOOW-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.38
Rot. Bonds9

About 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide

2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide (PubChem CID 20715374) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
PubChem CID20715374
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(OC)C(OC)C(=O)NCC=C
InChIInChI=1S/C12H20N2O4/c1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16)
InChIKeyLVTQBTZCLUQOOW-UHFFFAOYSA-N
XLogP-0.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The IUPAC name of 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide (CID 20715374) is 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The canonical SMILES for 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide is C=CCNC(=O)C(OC)C(OC)C(=O)NCC=C.
What is the InChIKey of 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The InChIKey is LVTQBTZCLUQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16).
What are the key properties of 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide has a molecular weight of 256.30 g/mol, XLogP of -0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 20715374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).