2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide

C12H19NO2 — CID 170045974

IUPAC2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide
SMILESC=CC(=C)OCC(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO2/c1-3-10(2)15-9-12(14)13-11-7-5-4-6-8-11/h3,11H,1-2,4-9H2,(H,13,14)
InChIKeyIMUFQMJZWQOTPQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds5

About 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide

2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide (PubChem CID 170045974) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide
PubChem CID170045974
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide
SMILESC=CC(=C)OCC(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO2/c1-3-10(2)15-9-12(14)13-11-7-5-4-6-8-11/h3,11H,1-2,4-9H2,(H,13,14)
InChIKeyIMUFQMJZWQOTPQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-buta-1,3-dien-2-yloxyethyl N-cyclohexylcarbamate
CID 89330994
2-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]oxy-N-cyclobutylacetamide
CID 170045793
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
N-cyclodecylprop-2-enamide
CID 18400354
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-(cyclooctylamino)-2-oxoethyl] 3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 71954177
4-(cyclohexylamino)-2-methylidene-4-oxobutanoic acid
CID 121219316
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide?
The IUPAC name of 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide (CID 170045974) is 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide?
The canonical SMILES for 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide is C=CC(=C)OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide?
The InChIKey is IMUFQMJZWQOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10(2)15-9-12(14)13-11-7-5-4-6-8-11/h3,11H,1-2,4-9H2,(H,13,14).
What are the key properties of 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide?
2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide has a molecular weight of 209.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide is sourced from PubChem (CID 170045974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).