(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide

C13H25NO2 — CID 103899350

IUPAC(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H25NO2/c1-5-7-11(2)12(16)14-10-13(3,4)8-6-9-15/h7,15H,5-6,8-10H2,1-4H3,(H,14,16)/b11-7-
InChIKeyODTAZGGGLUWDAT-XFFZJAGNSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds7

About (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide

(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide (PubChem CID 103899350) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide
PubChem CID103899350
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H25NO2/c1-5-7-11(2)12(16)14-10-13(3,4)8-6-9-15/h7,15H,5-6,8-10H2,1-4H3,(H,14,16)/b11-7-
InChIKeyODTAZGGGLUWDAT-XFFZJAGNSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide
CID 168958690
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 61245294
N-(2-ethyl-4-hydroxybutyl)-2-methylpent-2-enamide
CID 80308444
(Z)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpent-2-enamide
CID 80708876
(Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
CID 103770798
(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide
CID 103772858
N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide
CID 103772999
(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide
CID 103843571
N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 103861923
(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
CID 103861967
N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide
CID 103899591
N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide
CID 103899902

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide (CID 103899350) is (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide?
The InChIKey is ODTAZGGGLUWDAT-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-7-11(2)12(16)14-10-13(3,4)8-6-9-15/h7,15H,5-6,8-10H2,1-4H3,(H,14,16)/b11-7-.
What are the key properties of (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide?
(Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103899350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).