N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide

C11H19NO2 — CID 106741540

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C11H19NO2/c1-5-7-8-10(13)12(6-2)9-11(3,4)14/h1,14H,6-9H2,2-4H3
InChIKeyZIALLWVLEGGYPL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide (PubChem CID 106741540) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
PubChem CID106741540
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C11H19NO2/c1-5-7-8-10(13)12(6-2)9-11(3,4)14/h1,14H,6-9H2,2-4H3
InChIKeyZIALLWVLEGGYPL-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide (CID 106741540) is N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide is C#CCCC(=O)N(CC)CC(C)(C)O.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide?
The InChIKey is ZIALLWVLEGGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-8-10(13)12(6-2)9-11(3,4)14/h1,14H,6-9H2,2-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide has a molecular weight of 197.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide is sourced from PubChem (CID 106741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).