3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide

C24H32N2O2 — CID 3399159

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCCC2)c1C
InChIInChI=1S/C24H32N2O2/c1-18-22(19(2)27)17-23(20-11-7-6-8-12-20)26(18)16-15-24(28)25-21-13-9-4-3-5-10-14-21/h6-8,11-12,17,21H,3-5,9-10,13-16H2,1-2H3,(H,25,28)
InChIKeyUHGATLKLKIVRFI-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.29
Rot. Bonds6

About 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide (PubChem CID 3399159) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide
PubChem CID3399159
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCCC2)c1C
InChIInChI=1S/C24H32N2O2/c1-18-22(19(2)27)17-23(20-11-7-6-8-12-20)26(18)16-15-24(28)25-21-13-9-4-3-5-10-14-21/h6-8,11-12,17,21H,3-5,9-10,13-16H2,1-2H3,(H,25,28)
InChIKeyUHGATLKLKIVRFI-UHFFFAOYSA-N
XLogP5.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide (CID 3399159) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCCC2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide?
The InChIKey is UHGATLKLKIVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-22(19(2)27)17-23(20-11-7-6-8-12-20)26(18)16-15-24(28)25-21-13-9-4-3-5-10-14-21/h6-8,11-12,17,21H,3-5,9-10,13-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide has a molecular weight of 380.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclooctylpropanamide is sourced from PubChem (CID 3399159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).