3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide

C23H30N2O2 — CID 3665398

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C23H30N2O2/c1-16-9-11-20(12-10-16)24-23(27)13-14-25-17(2)21(18(3)26)15-22(25)19-7-5-4-6-8-19/h4-8,15-16,20H,9-14H2,1-3H3,(H,24,27)
InChIKeyZJZYNORWRUFCMG-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.75
Rot. Bonds6

About 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide (PubChem CID 3665398) 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-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide
PubChem CID3665398
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C23H30N2O2/c1-16-9-11-20(12-10-16)24-23(27)13-14-25-17(2)21(18(3)26)15-22(25)19-7-5-4-6-8-19/h4-8,15-16,20H,9-14H2,1-3H3,(H,24,27)
InChIKeyZJZYNORWRUFCMG-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide (CID 3665398) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCC(C)CC2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is ZJZYNORWRUFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-9-11-20(12-10-16)24-23(27)13-14-25-17(2)21(18(3)26)15-22(25)19-7-5-4-6-8-19/h4-8,15-16,20H,9-14H2,1-3H3,(H,24,27).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.75, 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-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 3665398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).