4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C22H30N2O2 — CID 60527517

About 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60527517) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
• PubChem CID: 60527517
• Molecular Formula: C22H30N2O2
• Molecular Weight: 354.49 g/mol
• Exact Mass: 354.23
• IUPAC Name: 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
• SMILES: CCc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)[nH]c(C)c1C(C)=O
• InChI: InChI=1S/C22H30N2O2/c1-8-16-19(15(7)25)14(6)23-21(16)22(26)24-20-17(12(2)3)10-9-11-18(20)13(4)5/h9-13,23H,8H2,1-7H3,(H,24,26)
• InChIKey: WGWWZJMKNTYKDT-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.49
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 60527517) is 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)[nH]c(C)c1C(C)=O.

What is the InChIKey of 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The InChIKey is WGWWZJMKNTYKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-8-16-19(15(7)25)14(6)23-21(16)22(26)24-20-17(12(2)3)10-9-11-18(20)13(4)5/h9-13,23H,8H2,1-7H3,(H,24,26).

What are the key properties of 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).