(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide

C15H24N2O4 — CID 142170281

IUPAC(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
SMILESC=C/C(C(=O)NCCOC)=C(\C=C/C)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-5-7-13(15(19)17-9-11-21-4)12(6-2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b7-5-,13-12-
InChIKeyQOBPNOFDLMWVAZ-TXTXDJJGSA-N
MW296.37 g/mol
LogP0.57
Rot. Bonds10

About (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide

(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide (PubChem CID 142170281) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide.

Molecular Properties

Compound Name(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
PubChem CID142170281
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
SMILESC=C/C(C(=O)NCCOC)=C(\C=C/C)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-5-7-13(15(19)17-9-11-21-4)12(6-2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b7-5-,13-12-
InChIKeyQOBPNOFDLMWVAZ-TXTXDJJGSA-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

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CID 74249288
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1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
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N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
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1-(2-ethoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 57861440
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
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1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
CID 70972150
1-(2-ethoxyethyl)-N-ethyl-2-oxopyridine-4-carboxamide
CID 70972228
1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 70972243
4-methylidene-N'-(2-methylpropyl)pent-2-enediamide
CID 87454034
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
CID 88899306
(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide
CID 89043475

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide?
The IUPAC name of (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide (CID 142170281) is (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide.
What is the SMILES notation for (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide?
The canonical SMILES for (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide is C=C/C(C(=O)NCCOC)=C(\C=C/C)C(=O)NCCOC.
What is the InChIKey of (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide?
The InChIKey is QOBPNOFDLMWVAZ-TXTXDJJGSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-7-13(15(19)17-9-11-21-4)12(6-2)14(18)16-8-10-20-3/h5-7H,2,8-11H2,1,3-4H3,(H,16,18)(H,17,19)/b7-5-,13-12-.
What are the key properties of (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide?
(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide 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 (Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide is sourced from PubChem (CID 142170281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).