N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide

C11H21NO2 — CID 103861923

IUPACN-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCCC(C)CO
InChIInChI=1S/C11H21NO2/c1-9(2)7-11(14)12-6-4-5-10(3)8-13/h7,10,13H,4-6,8H2,1-3H3,(H,12,14)
InChIKeyUKWGPFYQDJMOCL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

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

N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide (PubChem CID 103861923) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
PubChem CID103861923
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCCC(C)CO
InChIInChI=1S/C11H21NO2/c1-9(2)7-11(14)12-6-4-5-10(3)8-13/h7,10,13H,4-6,8H2,1-3H3,(H,12,14)
InChIKeyUKWGPFYQDJMOCL-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[3-(Hydroxymethyl)piperidin-1-YL]ethyl}-3-methylbut-2-enamide
CID 56757691
N-(5-hydroxypentyl)-2-methylprop-2-enamide
CID 11829900
(E)-N-(5-hydroxypentyl)but-2-enamide
CID 13877305
(Z)-N-(5-hydroxypentyl)but-2-enamide
CID 140174163
N-[6-hydroxy-5-(hydroxymethyl)hexyl]-2-methylprop-2-enamide
CID 140227478
3-hydroxy-N-(5-hydroxypentyl)but-2-enamide
CID 140606074
N-(5-hydroxy-4-methylpentyl)-2-methylprop-2-enamide
CID 174385019
1-[3-(Hydroxymethyl)piperidin-1-yl]-3-methylbut-2-en-1-one
CID 43422381
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbut-2-enamide
CID 61245733
N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide
CID 63294157
N-[(3-hydroxycyclobutyl)methyl]-3-methylbut-2-enamide
CID 66007336
N-(4-hydroxy-2-methylbutyl)-3-methylbut-2-enamide
CID 66109070

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide (CID 103861923) is N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide?
The InChIKey is UKWGPFYQDJMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-11(14)12-6-4-5-10(3)8-13/h7,10,13H,4-6,8H2,1-3H3,(H,12,14).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide?
N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide is sourced from PubChem (CID 103861923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).