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

C23H30N2O2 — CID 3399165

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C23H30N2O2/c1-17-21(18(2)26)16-22(19-10-6-5-7-11-19)25(17)15-14-23(27)24-20-12-8-3-4-9-13-20/h5-7,10-11,16,20H,3-4,8-9,12-15H2,1-2H3,(H,24,27)
InChIKeyPLFWPPUASJWLBC-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.90
Rot. Bonds6

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide (PubChem CID 3399165) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide
PubChem CID3399165
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C23H30N2O2/c1-17-21(18(2)26)16-22(19-10-6-5-7-11-19)25(17)15-14-23(27)24-20-12-8-3-4-9-13-20/h5-7,10-11,16,20H,3-4,8-9,12-15H2,1-2H3,(H,24,27)
InChIKeyPLFWPPUASJWLBC-UHFFFAOYSA-N
XLogP4.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.90
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-cycloheptylpropanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide (CID 3399165) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCCCCC2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide?
The InChIKey is PLFWPPUASJWLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-21(18(2)26)16-22(19-10-6-5-7-11-19)25(17)15-14-23(27)24-20-12-8-3-4-9-13-20/h5-7,10-11,16,20H,3-4,8-9,12-15H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-cycloheptylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 4.90, 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-cycloheptylpropanamide is sourced from PubChem (CID 3399165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).