(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide

C10H17NO2 — CID 167151228

IUPAC(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC/C(=C\C1CCC1)C(=O)NCCO
InChIInChI=1S/C10H17NO2/c1-8(7-9-3-2-4-9)10(13)11-5-6-12/h7,9,12H,2-6H2,1H3,(H,11,13)/b8-7+
InChIKeyYDEXEJQMRBXIRH-BQYQJAHWSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds4

About (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide

(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 167151228) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID167151228
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC/C(=C\C1CCC1)C(=O)NCCO
InChIInChI=1S/C10H17NO2/c1-8(7-9-3-2-4-9)10(13)11-5-6-12/h7,9,12H,2-6H2,1H3,(H,11,13)/b8-7+
InChIKeyYDEXEJQMRBXIRH-BQYQJAHWSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
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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Related Compounds

Semiplenamide A
CID 10384247
N-(2-methyl-2Z,6E-eicosadienoyl)-ethanolamine
CID 178328693
N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
CID 85128014
(3S,4R)-3-ethyl-4-fluoro-N-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carboxamide
CID 167046954
6-ethyl-3-fluoro-N-(2-hydroxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 167046965
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 11368442
(S,E)-N-(1-hydroxypropan-2-yl)-2-methyldec-2-enamide
CID 177896835
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
CID 11436615
(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide
CID 11230182
(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 21297933
(2E,6E,10E,14E)-N-(2-hydroxyethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 21297950

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide (CID 167151228) is (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide is C/C(=C\C1CCC1)C(=O)NCCO.
What is the InChIKey of (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is YDEXEJQMRBXIRH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(7-9-3-2-4-9)10(13)11-5-6-12/h7,9,12H,2-6H2,1H3,(H,11,13)/b8-7+.
What are the key properties of (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
(E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 167151228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).