2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide

C23H44N2O — CID 57217187

IUPAC2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide
SMILESCCCCCCCCCC(CCCCCCC)C1=CCCN1CC(N)=O
InChIInChI=1S/C23H44N2O/c1-3-5-7-9-10-12-14-17-21(16-13-11-8-6-4-2)22-18-15-19-25(22)20-23(24)26/h18,21H,3-17,19-20H2,1-2H3,(H2,24,26)
InChIKeyBBVZGEVAPYFLEU-UHFFFAOYSA-N
MW364.62 g/mol
LogP6.18
Rot. Bonds17

About 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide

2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide (PubChem CID 57217187) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide
PubChem CID57217187
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide
SMILESCCCCCCCCCC(CCCCCCC)C1=CCCN1CC(N)=O
InChIInChI=1S/C23H44N2O/c1-3-5-7-9-10-12-14-17-21(16-13-11-8-6-4-2)22-18-15-19-25(22)20-23(24)26/h18,21H,3-17,19-20H2,1-2H3,(H2,24,26)
InChIKeyBBVZGEVAPYFLEU-UHFFFAOYSA-N
XLogP6.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide?
The IUPAC name of 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide (CID 57217187) is 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide?
The canonical SMILES for 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide is CCCCCCCCCC(CCCCCCC)C1=CCCN1CC(N)=O.
What is the InChIKey of 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide?
The InChIKey is BBVZGEVAPYFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-3-5-7-9-10-12-14-17-21(16-13-11-8-6-4-2)22-18-15-19-25(22)20-23(24)26/h18,21H,3-17,19-20H2,1-2H3,(H2,24,26).
What are the key properties of 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide?
2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide has a molecular weight of 364.62 g/mol, XLogP of 6.18, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide is sourced from PubChem (CID 57217187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).