[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate

C24H24N2O5 — CID 8672366

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C24H24N2O5/c1-16-13-20(17(2)26(16)14-18-9-5-4-6-10-18)24(29)31-15-22(27)25-23(28)19-11-7-8-12-21(19)30-3/h4-13H,14-15H2,1-3H3,(H,25,27,28)
InChIKeyLKSDCGHHURAKAH-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.28
Rot. Bonds7

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 8672366) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
PubChem CID8672366
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C24H24N2O5/c1-16-13-20(17(2)26(16)14-18-9-5-4-6-10-18)24(29)31-15-22(27)25-23(28)19-11-7-8-12-21(19)30-3/h4-13H,14-15H2,1-3H3,(H,25,27,28)
InChIKeyLKSDCGHHURAKAH-UHFFFAOYSA-N
XLogP3.28
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672322
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 51564697
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726496
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 27540072
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854113
ethyl 1-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 90379206
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9407996
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062553
(2-oxo-2-thiophen-2-ylethyl) 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672303

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate (CID 8672366) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is LKSDCGHHURAKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-16-13-20(17(2)26(16)14-18-9-5-4-6-10-18)24(29)31-15-22(27)25-23(28)19-11-7-8-12-21(19)30-3/h4-13H,14-15H2,1-3H3,(H,25,27,28).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 8672366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).