N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide

C80H148N6O6 — CID 159389278

IUPACN-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
SMILESC=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.C=CCC(CC1CC1)C(=O)NC(C)(C)C.C=CCC(CC1CC1C)C(=O)NC(C)(C)C.C=CCC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H25NO.C14H27NO.C13H23NO.C13H25NO.C12H23NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;1-5-7-12(10-11-8-6-9-11)13(16)15-14(2,3)4;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4;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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyLLXDOPJYYVZTAC-UHFFFAOYSA-N
MW1290.10 g/mol
LogP18.74
Rot. Bonds26

About N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide

N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide (PubChem CID 159389278) has the molecular formula C80H148N6O6 and a molecular weight of 1290.10 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
PubChem CID159389278
Molecular FormulaC80H148N6O6
Molecular Weight1290.10 g/mol
Exact Mass1289.15
IUPAC NameN-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
SMILESC=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.C=CCC(CC1CC1)C(=O)NC(C)(C)C.C=CCC(CC1CC1C)C(=O)NC(C)(C)C.C=CCC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H25NO.C14H27NO.C13H23NO.C13H25NO.C12H23NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;1-5-7-12(10-11-8-6-9-11)13(16)15-14(2,3)4;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4;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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyLLXDOPJYYVZTAC-UHFFFAOYSA-N
XLogP18.74
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001290.10
LogP ≤ 518.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The IUPAC name of N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide (CID 159389278) is N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The canonical SMILES for N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide is 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.C=CCC(CC1CC1)C(=O)NC(C)(C)C.C=CCC(CC1CC1C)C(=O)NC(C)(C)C.C=CCC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
The InChIKey is LLXDOPJYYVZTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H25NO.C14H27NO.C13H23NO.C13H25NO.C12H23NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;1-5-7-12(10-11-8-6-9-11)13(16)15-14(2,3)4;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4;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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide?
N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide has a molecular weight of 1290.10 g/mol, XLogP of 18.74, 26 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide is sourced from PubChem (CID 159389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).