(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide

C105H197N7O7 — CID 158592832

IUPAC(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)(C)C)C(C)(C)C.C/C=C/CC(C(=O)NC(C)(C)C)C(C)C.C/C=C/CC(CC(C)(C)C)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.CC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1
InChIInChI=1S/C17H31NO.C16H31NO.2C15H27NO.C15H29NO.C14H27NO.C13H25NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14;1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6;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;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h13-15H,4-12H2,1-3H3,(H,18,19);12-13H,7-11H2,1-6H3,(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);8-9,11H,10H2,1-7H3,(H,15,16);7-8,10-11H,9H2,1-6H3,(H,14,15)/b;;7-6+;6-5+;2*9-8+;8-7+
InChIKeyHUQPWXLQTINZIY-PSDNNRCFSA-N
MW1669.77 g/mol
LogP26.22
Rot. Bonds32

About (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide

(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide (PubChem CID 158592832) has the molecular formula C105H197N7O7 and a molecular weight of 1669.77 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
PubChem CID158592832
Molecular FormulaC105H197N7O7
Molecular Weight1669.77 g/mol
Exact Mass1668.53
IUPAC Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)(C)C)C(C)(C)C.C/C=C/CC(C(=O)NC(C)(C)C)C(C)C.C/C=C/CC(CC(C)(C)C)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.CC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1
InChIInChI=1S/C17H31NO.C16H31NO.2C15H27NO.C15H29NO.C14H27NO.C13H25NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14;1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6;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;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h13-15H,4-12H2,1-3H3,(H,18,19);12-13H,7-11H2,1-6H3,(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);8-9,11H,10H2,1-7H3,(H,15,16);7-8,10-11H,9H2,1-6H3,(H,14,15)/b;;7-6+;6-5+;2*9-8+;8-7+
InChIKeyHUQPWXLQTINZIY-PSDNNRCFSA-N
XLogP26.22
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.77
LogP ≤ 526.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-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;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide (CID 158592832) is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide is C/C=C/CC(C(=O)NC(C)(C)C)C(C)(C)C.C/C=C/CC(C(=O)NC(C)(C)C)C(C)C.C/C=C/CC(CC(C)(C)C)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.CC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide?
The InChIKey is HUQPWXLQTINZIY-PSDNNRCFSA-N. The full InChI is InChI=1S/C17H31NO.C16H31NO.2C15H27NO.C15H29NO.C14H27NO.C13H25NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14;1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6;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;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h13-15H,4-12H2,1-3H3,(H,18,19);12-13H,7-11H2,1-6H3,(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);8-9,11H,10H2,1-7H3,(H,15,16);7-8,10-11H,9H2,1-6H3,(H,14,15)/b;;7-6+;6-5+;2*9-8+;8-7+.
What are the key properties of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide?
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide has a molecular weight of 1669.77 g/mol, XLogP of 26.22, 32 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(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-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide is sourced from PubChem (CID 158592832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).