(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide

C13H25NO2 — CID 103843571

IUPAC(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C13H25NO2/c1-5-8-11(4)12(16)14-9-13(6-2,7-3)10-15/h8,15H,5-7,9-10H2,1-4H3,(H,14,16)/b11-8-
InChIKeyBKMSOZFHVIIPTO-FLIBITNWSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds7

About (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide

(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide (PubChem CID 103843571) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide
PubChem CID103843571
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C13H25NO2/c1-5-8-11(4)12(16)14-9-13(6-2,7-3)10-15/h8,15H,5-7,9-10H2,1-4H3,(H,14,16)/b11-8-
InChIKeyBKMSOZFHVIIPTO-FLIBITNWSA-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-(3-hydroxypropyl)-2-methylpent-2-enamide
CID 74876271
5-hydroxy-2-methyl-N-propylpent-2-enamide
CID 141458422
6-hydroxy-2-methyl-N-propylhex-2-enamide
CID 141458423
N-ethyl-6-hydroxy-2-methylhex-2-enamide
CID 141458431
(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine
CID 170964425
N-(3-hydroxypropyl)-2-methylhept-2-enamide
CID 172810991
(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide
CID 176757813
(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide
CID 43500393
2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid
CID 75496206
N-(3-hydroxybutyl)-2-methylpent-2-enamide
CID 77042502
N-(3-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
CID 77055757
N-(4-hydroxy-2-methylbutyl)-2-methylpent-2-enamide
CID 77112901

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide (CID 103843571) is (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(CC)(CC)CO.
What is the InChIKey of (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide?
The InChIKey is BKMSOZFHVIIPTO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-8-11(4)12(16)14-9-13(6-2,7-3)10-15/h8,15H,5-7,9-10H2,1-4H3,(H,14,16)/b11-8-.
What are the key properties of (Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide?
(Z)-N-[2-ethyl-2-(hydroxymethyl)butyl]-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-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpent-2-enamide is sourced from PubChem (CID 103843571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).