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

C20H26N2O2 — CID 3665396

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C20H26N2O2/c1-14-17(15(2)23)13-18(16-9-7-6-8-10-16)22(14)12-11-19(24)21-20(3,4)5/h6-10,13H,11-12H2,1-5H3,(H,21,24)
InChIKeyCZNFCJJKQLVNEC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.97
Rot. Bonds5

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

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide (PubChem CID 3665396) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide
PubChem CID3665396
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C20H26N2O2/c1-14-17(15(2)23)13-18(16-9-7-6-8-10-16)22(14)12-11-19(24)21-20(3,4)5/h6-10,13H,11-12H2,1-5H3,(H,21,24)
InChIKeyCZNFCJJKQLVNEC-UHFFFAOYSA-N
XLogP3.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.97
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-tert-butylpropanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide (CID 3665396) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC(C)(C)C)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide?
The InChIKey is CZNFCJJKQLVNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-17(15(2)23)13-18(16-9-7-6-8-10-16)22(14)12-11-19(24)21-20(3,4)5/h6-10,13H,11-12H2,1-5H3,(H,21,24).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.97, 5 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-tert-butylpropanamide is sourced from PubChem (CID 3665396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).