N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide

C10H19NO3 — CID 139483585

IUPACN-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCC(C)(C)O
InChIInChI=1S/C10H19NO3/c1-4-9(12)11-6-8-14-7-5-10(2,3)13/h4,13H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyQQBNDFAFOPMLCE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.47
Rot. Bonds7

About N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide

N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide (PubChem CID 139483585) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide
PubChem CID139483585
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCC(C)(C)O
InChIInChI=1S/C10H19NO3/c1-4-9(12)11-6-8-14-7-5-10(2,3)13/h4,13H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyQQBNDFAFOPMLCE-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide (CID 139483585) is N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOCCC(C)(C)O.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide?
The InChIKey is QQBNDFAFOPMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-9(12)11-6-8-14-7-5-10(2,3)13/h4,13H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide?
N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 139483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).