(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide

C89H162N6O6 — CID 158410230

IUPAC(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO.2C15H27NO.C15H29NO.2C14H25NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;1-6-7-8-12(10-13-9-11(13)2)14(17)16-15(3,4)5;1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4;1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-5-6-7-12(10-11-8-9-11)13(16)15-14(2,3)4;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);6-7,11-13H,8-10H2,1-5H3,(H,16,17);5-6,12-13H,7-11H2,1-4H3,(H,16,17);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16)/b6-5+;7-6+;6-5+;9-8+;6-5+;8-7+
InChIKeyGZFGVAZUFGGUHP-LFPKYAMRSA-N
MW1412.31 g/mol
LogP21.92
Rot. Bonds29

About (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide

(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide (PubChem CID 158410230) has the molecular formula C89H162N6O6 and a molecular weight of 1412.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
PubChem CID158410230
Molecular FormulaC89H162N6O6
Molecular Weight1412.31 g/mol
Exact Mass1411.26
IUPAC Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO.2C15H27NO.C15H29NO.2C14H25NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;1-6-7-8-12(10-13-9-11(13)2)14(17)16-15(3,4)5;1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4;1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-5-6-7-12(10-11-8-9-11)13(16)15-14(2,3)4;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);6-7,11-13H,8-10H2,1-5H3,(H,16,17);5-6,12-13H,7-11H2,1-4H3,(H,16,17);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16)/b6-5+;7-6+;6-5+;9-8+;6-5+;8-7+
InChIKeyGZFGVAZUFGGUHP-LFPKYAMRSA-N
XLogP21.92
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.31
LogP ≤ 521.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide (CID 158410230) is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide is C/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CC1C)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C.C/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The InChIKey is GZFGVAZUFGGUHP-LFPKYAMRSA-N. The full InChI is InChI=1S/C16H29NO.2C15H27NO.C15H29NO.2C14H25NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;1-6-7-8-12(10-13-9-11(13)2)14(17)16-15(3,4)5;1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4;1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-5-6-7-12(10-11-8-9-11)13(16)15-14(2,3)4;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);6-7,11-13H,8-10H2,1-5H3,(H,16,17);5-6,12-13H,7-11H2,1-4H3,(H,16,17);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16)/b6-5+;7-6+;6-5+;9-8+;6-5+;8-7+.
What are the key properties of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide?
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide has a molecular weight of 1412.31 g/mol, XLogP of 21.92, 29 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide is sourced from PubChem (CID 158410230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).