6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide

C34H66N2O4 — CID 159724383

IUPAC6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)CC=CCOCC(C)(C)C.CC(C)(C)CNC(=O)CCC=CCOCC(C)(C)C
InChIInChI=1S/C18H35NO2.C16H31NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6;1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20);7,9H,8,10-13H2,1-6H3,(H,17,18)
InChIKeyNALGLQPDMGEBOC-UHFFFAOYSA-N
MW566.91 g/mol
LogP7.73
Rot. Bonds14

About 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide

6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide (PubChem CID 159724383) has the molecular formula C34H66N2O4 and a molecular weight of 566.91 g/mol. Its IUPAC name is 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide.

Molecular Properties

Compound Name6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
PubChem CID159724383
Molecular FormulaC34H66N2O4
Molecular Weight566.91 g/mol
Exact Mass566.50
IUPAC Name6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)CC=CCOCC(C)(C)C.CC(C)(C)CNC(=O)CCC=CCOCC(C)(C)C
InChIInChI=1S/C18H35NO2.C16H31NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6;1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20);7,9H,8,10-13H2,1-6H3,(H,17,18)
InChIKeyNALGLQPDMGEBOC-UHFFFAOYSA-N
XLogP7.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.91
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
CID 162244176
1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-9,9-dimethyldec-4-ene;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
CID 162074305
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
CID 156566724
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
N-(2,2-dimethylpropyl)-3-oxohexanamide
CID 174880292
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855341
N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
CID 166997753
[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
CID 170775177
6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
CID 114167176

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The IUPAC name of 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide (CID 159724383) is 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide.
What is the SMILES notation for 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The canonical SMILES for 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide is CC(C)(C)CNC(=O)C(C)(C)CC=CCOCC(C)(C)C.CC(C)(C)CNC(=O)CCC=CCOCC(C)(C)C.
What is the InChIKey of 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The InChIKey is NALGLQPDMGEBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.C16H31NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6;1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20);7,9H,8,10-13H2,1-6H3,(H,17,18).
What are the key properties of 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide has a molecular weight of 566.91 g/mol, XLogP of 7.73, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide is sourced from PubChem (CID 159724383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).