N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide

C14H20N2O2 — CID 53123793

IUPACN-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(NC1CCCCCCC1)C(=O)c1ccc[nH]1
InChIInChI=1S/C14H20N2O2/c17-13(12-9-6-10-15-12)14(18)16-11-7-4-2-1-3-5-8-11/h6,9-11,15H,1-5,7-8H2,(H,16,18)
InChIKeyVZNZCAXKDDWNJB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds3

About N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide

N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 53123793) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide
PubChem CID53123793
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(NC1CCCCCCC1)C(=O)c1ccc[nH]1
InChIInChI=1S/C14H20N2O2/c17-13(12-9-6-10-15-12)14(18)16-11-7-4-2-1-3-5-8-11/h6,9-11,15H,1-5,7-8H2,(H,16,18)
InChIKeyVZNZCAXKDDWNJB-UHFFFAOYSA-N
XLogP2.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide
CID 166291883
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
cyclohexyl(1H-pyrrol-2-yl)methanone
CID 13432026
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9382185
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
2-cycloheptyl-1-(1H-pyrrol-2-yl)ethanone
CID 114457367
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755
2-oxo-N-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 53123869
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide (CID 53123793) is N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide is O=C(NC1CCCCCCC1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is VZNZCAXKDDWNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13(12-9-6-10-15-12)14(18)16-11-7-4-2-1-3-5-8-11/h6,9-11,15H,1-5,7-8H2,(H,16,18).
What are the key properties of N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 53123793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).