5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide

C16H26N2O2 — CID 149239901

IUPAC5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide
SMILESCCCCCC(=O)CCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-6-15(19)7-5-8-16(20)18-12-10-14-9-11-17-13-14/h11,13H,2-10,12H2,1H3,(H,18,20)
InChIKeyXLYZOBZACKDIRF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.17
Rot. Bonds11

About 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide

5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide (PubChem CID 149239901) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide.

Molecular Properties

Compound Name5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide
PubChem CID149239901
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide
SMILESCCCCCC(=O)CCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-6-15(19)7-5-8-16(20)18-12-10-14-9-11-17-13-14/h11,13H,2-10,12H2,1H3,(H,18,20)
InChIKeyXLYZOBZACKDIRF-UHFFFAOYSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide?
The IUPAC name of 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide (CID 149239901) is 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide.
What is the SMILES notation for 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide?
The canonical SMILES for 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide is CCCCCC(=O)CCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide?
The InChIKey is XLYZOBZACKDIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-6-15(19)7-5-8-16(20)18-12-10-14-9-11-17-13-14/h11,13H,2-10,12H2,1H3,(H,18,20).
What are the key properties of 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide?
5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide has a molecular weight of 278.40 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide is sourced from PubChem (CID 149239901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).