N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

C23H24N2O3 — CID 17411419

IUPACN-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1C
InChIInChI=1S/C23H24N2O3/c1-16-13-20(17(2)25(16)3)21(26)15-28-22-12-8-7-11-19(22)23(27)24-14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyCJJCMEXDXAGODL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds7

About N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (PubChem CID 17411419) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
PubChem CID17411419
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1C
InChIInChI=1S/C23H24N2O3/c1-16-13-20(17(2)25(16)3)21(26)15-28-22-12-8-7-11-19(22)23(27)24-14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyCJJCMEXDXAGODL-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
2-(2,3-difluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63037476
2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110656095
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7770902
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 4791820
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-(5-fluoro-2-methylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102975495
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
N-benzyl-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7981693
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (CID 17411419) is N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is Cc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1C.
What is the InChIKey of N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The InChIKey is CJJCMEXDXAGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-13-20(17(2)25(16)3)21(26)15-28-22-12-8-7-11-19(22)23(27)24-14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is sourced from PubChem (CID 17411419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).