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

C19H24N2O2 — CID 4206203

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C19H24N2O2/c1-5-13(2)20-19(23)12-21-14(3)17(15(4)22)11-18(21)16-9-7-6-8-10-16/h6-11,13H,5,12H2,1-4H3,(H,20,23)
InChIKeyATSYUWNFRGPHMB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.58
Rot. Bonds6

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

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide (PubChem CID 4206203) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide
PubChem CID4206203
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C19H24N2O2/c1-5-13(2)20-19(23)12-21-14(3)17(15(4)22)11-18(21)16-9-7-6-8-10-16/h6-11,13H,5,12H2,1-4H3,(H,20,23)
InChIKeyATSYUWNFRGPHMB-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide (CID 4206203) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide?
The InChIKey is ATSYUWNFRGPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-13(2)20-19(23)12-21-14(3)17(15(4)22)11-18(21)16-9-7-6-8-10-16/h6-11,13H,5,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 4206203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).