(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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide

C98H183N7O7 — CID 159525077

IUPAC(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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-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(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)C.C=CCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO.C15H29NO.C14H25NO.C14H27NO.C14H25NO.C13H25NO.C12H23NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(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;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14)/b6-5+;9-8+;6-5+;;8-7+;;
InChIKeyMCHAHXZSCQGGJI-NIQQHFFUSA-N
MW1571.58 g/mol
LogP24.14
Rot. Bonds30

About (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide (PubChem CID 159525077) has the molecular formula C98H183N7O7 and a molecular weight of 1571.58 g/mol. Its IUPAC name is (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide.

Molecular Properties

Compound Name(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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
PubChem CID159525077
Molecular FormulaC98H183N7O7
Molecular Weight1571.58 g/mol
Exact Mass1570.42
IUPAC Name(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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-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(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)C.C=CCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO.C15H29NO.C14H25NO.C14H27NO.C14H25NO.C13H25NO.C12H23NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(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;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14)/b6-5+;9-8+;6-5+;;8-7+;;
InChIKeyMCHAHXZSCQGGJI-NIQQHFFUSA-N
XLogP24.14
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.58
LogP ≤ 524.14
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-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The IUPAC name of (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide (CID 159525077) is (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide.
What is the SMILES notation for (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The canonical SMILES for (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-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(CC1CCCC1)C(=O)NC(C)(C)C.C=C(C)CC(C/C=C/C)C(=O)NC(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCC(C(=O)NC(C)(C)C)C(C)C.C=CCC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The InChIKey is MCHAHXZSCQGGJI-NIQQHFFUSA-N. The full InChI is InChI=1S/C16H29NO.C15H29NO.C14H25NO.C14H27NO.C14H25NO.C13H25NO.C12H23NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(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;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5-6,13-14H,7-12H2,1-4H3,(H,17,18);8-9,12H,10-11H2,1-7H3,(H,16,17);5-6,11-12H,7-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);7-8,12H,2,9-10H2,1,3-6H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14)/b6-5+;9-8+;6-5+;;8-7+;;.
What are the key properties of (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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-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;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide has a molecular weight of 1571.58 g/mol, XLogP of 24.14, 30 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-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide is sourced from PubChem (CID 159525077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).