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

C21H28N2O2 — CID 3543770

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C21H28N2O2/c1-6-21(4,5)22-20(25)12-13-23-15(2)18(16(3)24)14-19(23)17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,25)
InChIKeyGAIHXJARUZUZBX-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.36
Rot. Bonds7

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 3543770) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID3543770
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C21H28N2O2/c1-6-21(4,5)22-20(25)12-13-23-15(2)18(16(3)24)14-19(23)17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,25)
InChIKeyGAIHXJARUZUZBX-UHFFFAOYSA-N
XLogP4.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.36
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-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide (CID 3543770) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is GAIHXJARUZUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-21(4,5)22-20(25)12-13-23-15(2)18(16(3)24)14-19(23)17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,25).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.36, 7 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-methylbutan-2-yl)propanamide is sourced from PubChem (CID 3543770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).