2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

C25H28N2O4 — CID 12004868

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O4/c1-3-30-22-13-12-19(17-23(22)31-4-2)14-15-26-24(28)18-27-16-8-11-21(27)25(29)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,28)
InChIKeyNOSUZAGPQUHFRX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.88
Rot. Bonds11

About 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 12004868) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID12004868
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O4/c1-3-30-22-13-12-19(17-23(22)31-4-2)14-15-26-24(28)18-27-16-8-11-21(27)25(29)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,28)
InChIKeyNOSUZAGPQUHFRX-UHFFFAOYSA-N
XLogP3.88
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (CID 12004868) is 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)cc1OCC.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is NOSUZAGPQUHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-30-22-13-12-19(17-23(22)31-4-2)14-15-26-24(28)18-27-16-8-11-21(27)25(29)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 12004868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).