(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide

C15H24N2O4 — CID 142170272

IUPAC(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide
SMILESC=C(C(=O)NCCOC)/C(=C\C=C/C)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-5-6-7-13(15(19)17-9-11-21-4)12(2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+
InChIKeyGNZZGMBBKQMEMZ-RKOYKYSNSA-N
MW296.37 g/mol
LogP0.57
Rot. Bonds10

About (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide

(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide (PubChem CID 142170272) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide
PubChem CID142170272
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide
SMILESC=C(C(=O)NCCOC)/C(=C\C=C/C)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-5-6-7-13(15(19)17-9-11-21-4)12(2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+
InChIKeyGNZZGMBBKQMEMZ-RKOYKYSNSA-N
XLogP0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 89049356
N-(2-methoxyethyl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 89337160
(Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylidenehept-3-enamide
CID 89672469
N'-[2-[2-[2-(penta-2,4-dienoylamino)ethoxy]ethoxy]ethyl]butanediamide
CID 90996340
(2E)-2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]penta-2,4-dienamide
CID 132012306
(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188719
3-[[(2E,3E)-2-ethylidene-4-(2-methoxyethylcarbamoyl)hexa-3,5-dienoyl]amino]propanoyl azide
CID 142170270
(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
CID 142170277
(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
CID 142170281
(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen
CID 143375881
2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
CID 143442159

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide (CID 142170272) is (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide is C=C(C(=O)NCCOC)/C(=C\C=C/C)C(=O)NCCOC.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide?
The InChIKey is GNZZGMBBKQMEMZ-RKOYKYSNSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-6-7-13(15(19)17-9-11-21-4)12(2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide?
(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide has a molecular weight of 296.37 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide is sourced from PubChem (CID 142170272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).