N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide

C14H27NO2 — CID 168958690

IUPACN-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide
SMILESC=C(C)CC(=O)NCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C14H27NO2/c1-11(2)7-12(17)15-9-13(3,4)8-14(5,6)10-16/h16H,1,7-10H2,2-6H3,(H,15,17)
InChIKeyZFTUHHNXAPAHKG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.50
Rot. Bonds7

About N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide

N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide (PubChem CID 168958690) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide
PubChem CID168958690
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide
SMILESC=C(C)CC(=O)NCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C14H27NO2/c1-11(2)7-12(17)15-9-13(3,4)8-14(5,6)10-16/h16H,1,7-10H2,2-6H3,(H,15,17)
InChIKeyZFTUHHNXAPAHKG-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4,4-dimethylpentyl)propanamide
CID 23563450
N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide
CID 118446700
N-(6-acetamido-2,4,4-trimethylhexyl)-2-methylbutanamide;2-methylbut-1-ene;4-methylhexan-2-ol
CID 156874788
N-(5-hydroxy-3-methylidenepentyl)acetamide
CID 163373720
N-(5-hydroxy-4-methylpentyl)-2-methylprop-2-enamide
CID 174385019
5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide
CID 176680501
N-(5-hydroxy-4-methylpentyl)pent-4-enamide
CID 103861440
N-(5-hydroxy-4-methylpentyl)-2,2-dimethylbutanamide
CID 103861483
N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103861513
(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide
CID 103899350
2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 103899355
N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899391

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide?
The IUPAC name of N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide (CID 168958690) is N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide.
What is the SMILES notation for N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide?
The canonical SMILES for N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide is C=C(C)CC(=O)NCC(C)(C)CC(C)(C)CO.
What is the InChIKey of N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide?
The InChIKey is ZFTUHHNXAPAHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)7-12(17)15-9-13(3,4)8-14(5,6)10-16/h16H,1,7-10H2,2-6H3,(H,15,17).
What are the key properties of N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide?
N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide is sourced from PubChem (CID 168958690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).