(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide

C10H19NO2 — CID 103824960

IUPAC(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)(C)CCO
InChIInChI=1S/C10H19NO2/c1-4-5-9(13)11-8-10(2,3)6-7-12/h4-5,12H,6-8H2,1-3H3,(H,11,13)/b5-4+
InChIKeyFBVGZZWYUBFNBX-SNAWJCMRSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide

(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide (PubChem CID 103824960) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide
PubChem CID103824960
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)(C)CCO
InChIInChI=1S/C10H19NO2/c1-4-5-9(13)11-8-10(2,3)6-7-12/h4-5,12H,6-8H2,1-3H3,(H,11,13)/b5-4+
InChIKeyFBVGZZWYUBFNBX-SNAWJCMRSA-N
XLogP1.09
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 ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide (CID 103824960) is (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide is C/C=C/C(=O)NCC(C)(C)CCO.
What is the InChIKey of (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide?
The InChIKey is FBVGZZWYUBFNBX-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-9(13)11-8-10(2,3)6-7-12/h4-5,12H,6-8H2,1-3H3,(H,11,13)/b5-4+.
What are the key properties of (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide?
(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide is sourced from PubChem (CID 103824960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).