N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide

C13H25NO2 — CID 89249585

IUPACN-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide
SMILESCCC(C)(C)C(C=C(C)C)C(=O)NCCO
InChIInChI=1S/C13H25NO2/c1-6-13(4,5)11(9-10(2)3)12(16)14-7-8-15/h9,11,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyZMESMHBKGVPTMK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.11
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide

N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide (PubChem CID 89249585) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide
PubChem CID89249585
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide
SMILESCCC(C)(C)C(C=C(C)C)C(=O)NCCO
InChIInChI=1S/C13H25NO2/c1-6-13(4,5)11(9-10(2)3)12(16)14-7-8-15/h9,11,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyZMESMHBKGVPTMK-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide (CID 89249585) is N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide is CCC(C)(C)C(C=C(C)C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide?
The InChIKey is ZMESMHBKGVPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-13(4,5)11(9-10(2)3)12(16)14-7-8-15/h9,11,15H,6-8H2,1-5H3,(H,14,16).
What are the key properties of N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide?
N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide is sourced from PubChem (CID 89249585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).