N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide

C23H24N2O3 — CID 4783003

IUPACN-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C23H24N2O3/c1-16-13-22(17(2)25(16)14-19-7-5-4-6-8-19)23(27)15-28-21-11-9-20(10-12-21)24-18(3)26/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyMUBVRAINGUXQAA-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide

N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 4783003) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID4783003
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C23H24N2O3/c1-16-13-22(17(2)25(16)14-19-7-5-4-6-8-19)23(27)15-28-21-11-9-20(10-12-21)24-18(3)26/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyMUBVRAINGUXQAA-UHFFFAOYSA-N
XLogP4.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (CID 4783003) is N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1.
What is the InChIKey of N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is MUBVRAINGUXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-13-22(17(2)25(16)14-19-7-5-4-6-8-19)23(27)15-28-21-11-9-20(10-12-21)24-18(3)26/h4-13H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 4783003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).