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

C24H26N2O2 — CID 3399161

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C24H26N2O2/c1-18-22(19(2)27)17-23(21-11-7-4-8-12-21)26(18)16-14-24(28)25-15-13-20-9-5-3-6-10-20/h3-12,17H,13-16H2,1-2H3,(H,25,28)
InChIKeyRJCAFFYFZZSQIO-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.42
Rot. Bonds8

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide (PubChem CID 3399161) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
PubChem CID3399161
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C24H26N2O2/c1-18-22(19(2)27)17-23(21-11-7-4-8-12-21)26(18)16-14-24(28)25-15-13-20-9-5-3-6-10-20/h3-12,17H,13-16H2,1-2H3,(H,25,28)
InChIKeyRJCAFFYFZZSQIO-UHFFFAOYSA-N
XLogP4.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.42
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-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide (CID 3399161) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccccc2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is RJCAFFYFZZSQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18-22(19(2)27)17-23(21-11-7-4-8-12-21)26(18)16-14-24(28)25-15-13-20-9-5-3-6-10-20/h3-12,17H,13-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 4.42, 8 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 3399161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).