(E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one

C89H162N6O11 — CID 162163372

About (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one

(E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one (PubChem CID 162163372) has the molecular formula C89H162N6O11 and a molecular weight of 1492.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one.

Molecular Properties

• Compound Name: (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one
• PubChem CID: 162163372
• Molecular Formula: C89H162N6O11
• Molecular Weight: 1492.31 g/mol
• Exact Mass: 1491.23
• IUPAC Name: (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one
• SMILES: C=C(C)C(=O)C(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)CCCC(C)(C)C.C=CC(=O)N(C)CC(=O)C(C)(C)C.C=CC(=O)N(C)CC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NCC(C)(C)C.CC(C)=CC(=O)CC(C)(C)C.CC(C)=CC(=O)CCC(C)(C)C.CN(C)C/C=C/C(=O)NC(C)(C)C
• InChI: InChI=1S/C11H20O.C10H20N2O.C10H17NO2.2C10H18O.C9H17NO.C8H15NO.C7H13NO.2C7H12O/c1-9(2)8-10(12)6-7-11(3,4)5;1-10(2,3)11-9(13)7-6-8-12(4)5;1-6-9(13)11(5)7-8(12)10(2,3)4;1-8(2)6-9(11)7-10(3,4)5;1-5-9(11)7-6-8-10(2,3)4;1-6-8(11)10(5)7-9(2,3)4;1-5-7(10)9-6-8(2,3)4;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4;1-5(2)7(8)6(3)4/h8H,6-7H2,1-5H3;6-7H,8H2,1-5H3,(H,11,13);6H,1,7H2,2-5H3;6H,7H2,1-5H3;5H,1,6-8H2,2-4H3;6H,1,7H2,2-5H3;5H,1,6H2,2-4H3,(H,9,10);5H,1H2,2-4H3,(H,8,9);5H,1H2,2-4H3;6H,1H2,2-4H3/b;7-6+
• InChIKey: ZMUHTKFHELOGMP-WZZOUUIKSA-N
• XLogP: 19.20
• TPSA: 233.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.31
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one?

The IUPAC name of (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one (CID 162163372) is (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one.

What is the SMILES notation for (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one?

The canonical SMILES for (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one is C=C(C)C(=O)C(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)CCCC(C)(C)C.C=CC(=O)N(C)CC(=O)C(C)(C)C.C=CC(=O)N(C)CC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NCC(C)(C)C.CC(C)=CC(=O)CC(C)(C)C.CC(C)=CC(=O)CCC(C)(C)C.CN(C)C/C=C/C(=O)NC(C)(C)C.

What is the InChIKey of (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one?

The InChIKey is ZMUHTKFHELOGMP-WZZOUUIKSA-N. The full InChI is InChI=1S/C11H20O.C10H20N2O.C10H17NO2.2C10H18O.C9H17NO.C8H15NO.C7H13NO.2C7H12O/c1-9(2)8-10(12)6-7-11(3,4)5;1-10(2,3)11-9(13)7-6-8-12(4)5;1-6-9(13)11(5)7-8(12)10(2,3)4;1-8(2)6-9(11)7-10(3,4)5;1-5-9(11)7-6-8-10(2,3)4;1-6-8(11)10(5)7-9(2,3)4;1-5-7(10)9-6-8(2,3)4;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4;1-5(2)7(8)6(3)4/h8H,6-7H2,1-5H3;6-7H,8H2,1-5H3,(H,11,13);6H,1,7H2,2-5H3;6H,7H2,1-5H3;5H,1,6-8H2,2-4H3;6H,1,7H2,2-5H3;5H,1,6H2,2-4H3,(H,9,10);5H,1H2,2-4H3,(H,8,9);5H,1H2,2-4H3;6H,1H2,2-4H3/b;7-6+;;;;;;;;.

What are the key properties of (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one?

(E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one has a molecular weight of 1492.31 g/mol, XLogP of 19.20, 23 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-tert-butyl-4-(dimethylamino)but-2-enamide;N-tert-butylprop-2-enamide;7,7-dimethyloct-1-en-3-one;N-(3,3-dimethyl-2-oxobutyl)-N-methylprop-2-enamide;2,4-dimethylpent-1-en-3-one;4,4-dimethylpent-1-en-3-one;N-(2,2-dimethylpropyl)-N-methylprop-2-enamide;N-(2,2-dimethylpropyl)prop-2-enamide;2,6,6-trimethylhept-2-en-4-one;2,7,7-trimethyloct-2-en-4-one is sourced from PubChem (CID 162163372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).