(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide

C26H50N2O6 — CID 89021582

IUPAC(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide
SMILESCC(C)(C)OCCOC(C)(C)CCNC(=O)/C=C/C(=O)NCCC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C26H50N2O6/c1-23(2,3)31-17-19-33-25(7,8)13-15-27-21(29)11-12-22(30)28-16-14-26(9,10)34-20-18-32-24(4,5)6/h11-12H,13-20H2,1-10H3,(H,27,29)(H,28,30)/b12-11+
InChIKeyYVWWDGACVOOVMD-VAWYXSNFSA-N
MW486.69 g/mol
LogP3.78
Rot. Bonds16

About (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide

(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide (PubChem CID 89021582) has the molecular formula C26H50N2O6 and a molecular weight of 486.69 g/mol. Its IUPAC name is (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide
PubChem CID89021582
Molecular FormulaC26H50N2O6
Molecular Weight486.69 g/mol
Exact Mass486.37
IUPAC Name(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide
SMILESCC(C)(C)OCCOC(C)(C)CCNC(=O)/C=C/C(=O)NCCC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C26H50N2O6/c1-23(2,3)31-17-19-33-25(7,8)13-15-27-21(29)11-12-22(30)28-16-14-26(9,10)34-20-18-32-24(4,5)6/h11-12H,13-20H2,1-10H3,(H,27,29)(H,28,30)/b12-11+
InChIKeyYVWWDGACVOOVMD-VAWYXSNFSA-N
XLogP3.78
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide?
The IUPAC name of (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide (CID 89021582) is (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide is CC(C)(C)OCCOC(C)(C)CCNC(=O)/C=C/C(=O)NCCC(C)(C)OCCOC(C)(C)C.
What is the InChIKey of (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide?
The InChIKey is YVWWDGACVOOVMD-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H50N2O6/c1-23(2,3)31-17-19-33-25(7,8)13-15-27-21(29)11-12-22(30)28-16-14-26(9,10)34-20-18-32-24(4,5)6/h11-12H,13-20H2,1-10H3,(H,27,29)(H,28,30)/b12-11+.
What are the key properties of (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide?
(E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide has a molecular weight of 486.69 g/mol, XLogP of 3.78, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]but-2-enediamide is sourced from PubChem (CID 89021582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).