(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide

C12H21NO3 — CID 166979101

IUPAC(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide
SMILESC/C(=C\C1CCC1)C(=O)NCCOCCO
InChIInChI=1S/C12H21NO3/c1-10(9-11-3-2-4-11)12(15)13-5-7-16-8-6-14/h9,11,14H,2-8H2,1H3,(H,13,15)/b10-9+
InChIKeyXVEKKNNTQAVEQF-MDZDMXLPSA-N
MW227.30 g/mol
LogP0.86
Rot. Bonds7

About (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide

(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide (PubChem CID 166979101) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide
PubChem CID166979101
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide
SMILESC/C(=C\C1CCC1)C(=O)NCCOCCO
InChIInChI=1S/C12H21NO3/c1-10(9-11-3-2-4-11)12(15)13-5-7-16-8-6-14/h9,11,14H,2-8H2,1H3,(H,13,15)/b10-9+
InChIKeyXVEKKNNTQAVEQF-MDZDMXLPSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.86
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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Related Compounds

(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]cyclobutene-1-carboxamide
CID 24803044
(2E)-2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]penta-2,4-dienamide
CID 132012306
(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 167151228
(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 23251855
N-[2-(2-hydroxyethoxy)ethyl]-2-methylpent-2-enamide
CID 76895801
N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide
CID 77024317
(Z)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpent-2-enamide
CID 104039645
2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022207

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide (CID 166979101) is (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide is C/C(=C\C1CCC1)C(=O)NCCOCCO.
What is the InChIKey of (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide?
The InChIKey is XVEKKNNTQAVEQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(9-11-3-2-4-11)12(15)13-5-7-16-8-6-14/h9,11,14H,2-8H2,1H3,(H,13,15)/b10-9+.
What are the key properties of (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide?
(E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide has a molecular weight of 227.30 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-N-[2-(2-hydroxyethoxy)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 166979101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).