N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide

C18H33NO — CID 76599958

IUPACN-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
SMILESCCCC(=O)N(CC=C(C)CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C18H33NO/c1-8-10-17(20)19(18(5,6)7)14-13-16(4)12-9-11-15(2)3/h11,13H,8-10,12,14H2,1-7H3
InChIKeyLQVHBNJGSZKLDX-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.11
Rot. Bonds7

About N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide

N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide (PubChem CID 76599958) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
PubChem CID76599958
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
SMILESCCCC(=O)N(CC=C(C)CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C18H33NO/c1-8-10-17(20)19(18(5,6)7)14-13-16(4)12-9-11-15(2)3/h11,13H,8-10,12,14H2,1-7H3
InChIKeyLQVHBNJGSZKLDX-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
CID 76600040
2,2,6,10-tetramethylundeca-5,9-dien-3-one
CID 71393329
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
ethyl (6E)-2,2,7,11-tetramethyl-3-oxododeca-6,10-dienoate
CID 71815721
3,7-dimethylocta-2,6-dienal
CID 8843
N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
CID 76600264
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide?
The IUPAC name of N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide (CID 76599958) is N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide.
What is the SMILES notation for N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide?
The canonical SMILES for N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide is CCCC(=O)N(CC=C(C)CCC=C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide?
The InChIKey is LQVHBNJGSZKLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-8-10-17(20)19(18(5,6)7)14-13-16(4)12-9-11-15(2)3/h11,13H,8-10,12,14H2,1-7H3.
What are the key properties of N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide?
N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide has a molecular weight of 279.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide is sourced from PubChem (CID 76599958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).