2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide

C17H26N2O2 — CID 24970898

IUPAC2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide
SMILESC=CCN(C(=O)/C=C/C)C(C=C)(C=C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-8-12-14(20)19(13-9-2)17(10-3,11-4)15(21)18-16(5,6)7/h8-12H,2-4,13H2,1,5-7H3,(H,18,21)/b12-8+
InChIKeyAQZVLMCQUVKZBT-XYOKQWHBSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds7

About 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide

2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide (PubChem CID 24970898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide
PubChem CID24970898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide
SMILESC=CCN(C(=O)/C=C/C)C(C=C)(C=C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-8-12-14(20)19(13-9-2)17(10-3,11-4)15(21)18-16(5,6)7/h8-12H,2-4,13H2,1,5-7H3,(H,18,21)/b12-8+
InChIKeyAQZVLMCQUVKZBT-XYOKQWHBSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide?
The IUPAC name of 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide (CID 24970898) is 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide is C=CCN(C(=O)/C=C/C)C(C=C)(C=C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide?
The InChIKey is AQZVLMCQUVKZBT-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-8-12-14(20)19(13-9-2)17(10-3,11-4)15(21)18-16(5,6)7/h8-12H,2-4,13H2,1,5-7H3,(H,18,21)/b12-8+.
What are the key properties of 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide?
2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide has a molecular weight of 290.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]-prop-2-enylamino]-N-tert-butyl-2-ethenylbut-3-enamide is sourced from PubChem (CID 24970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).