N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide

C10H19NO2 — CID 176894503

IUPACN-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCCCCO
InChIInChI=1S/C10H19NO2/c1-8(2)9(3)10(13)11-6-4-5-7-12/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyHGYLQZWZPFPDEQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.23
Rot. Bonds5

About N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide

N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide (PubChem CID 176894503) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
PubChem CID176894503
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCCCCO
InChIInChI=1S/C10H19NO2/c1-8(2)9(3)10(13)11-6-4-5-7-12/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyHGYLQZWZPFPDEQ-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide?
The IUPAC name of N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide (CID 176894503) is N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide?
The InChIKey is HGYLQZWZPFPDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9(3)10(13)11-6-4-5-7-12/h12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide?
N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 176894503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).