N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide

C11H19NO2 — CID 79252380

IUPACN-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(CO)C(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-11(14)12-10(8-13)9(2)3/h4-7,9-10,13H,8H2,1-3H3,(H,12,14)
InChIKeyPTPZDLJBSWKXBR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.25
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide

N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide (PubChem CID 79252380) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
PubChem CID79252380
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(CO)C(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-11(14)12-10(8-13)9(2)3/h4-7,9-10,13H,8H2,1-3H3,(H,12,14)
InChIKeyPTPZDLJBSWKXBR-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexa-2,4-dienamide
CID 106353216
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 79253158
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
(2S)-2-(hexa-2,4-dienoylamino)butanedioic acid
CID 114287498
2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3,3-dimethylbutanoic acid
CID 43467877
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide (CID 79252380) is N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide?
The InChIKey is PTPZDLJBSWKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-7-11(14)12-10(8-13)9(2)3/h4-7,9-10,13H,8H2,1-3H3,(H,12,14).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide?
N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide has a molecular weight of 197.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 79252380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).