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

C22H28N2O2 — CID 3665397

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-20(17(2)25)15-21(18-9-5-3-6-10-18)24(16)14-13-22(26)23-19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,23,26)
InChIKeyYOSVZPGXQBEEFQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.51
Rot. Bonds6

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide (PubChem CID 3665397) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide
PubChem CID3665397
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-20(17(2)25)15-21(18-9-5-3-6-10-18)24(16)14-13-22(26)23-19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,23,26)
InChIKeyYOSVZPGXQBEEFQ-UHFFFAOYSA-N
XLogP4.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.51
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-cyclohexylpropanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide (CID 3665397) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCC2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is YOSVZPGXQBEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-20(17(2)25)15-21(18-9-5-3-6-10-18)24(16)14-13-22(26)23-19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,23,26).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.51, 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-cyclohexylpropanamide is sourced from PubChem (CID 3665397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).