[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C24H24N2O5 — CID 8573312

IUPAC[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C24H24N2O5/c1-14-23(16(3)27)15(2)26-24(14)20(28)13-31-22(30)12-25-21(29)11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,26H,11-13H2,1-3H3,(H,25,29)
InChIKeyHWPRYDPTZUPOKD-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.07
Rot. Bonds8

About [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 8573312) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID8573312
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C24H24N2O5/c1-14-23(16(3)27)15(2)26-24(14)20(28)13-31-22(30)12-25-21(29)11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,26H,11-13H2,1-3H3,(H,25,29)
InChIKeyHWPRYDPTZUPOKD-UHFFFAOYSA-N
XLogP3.07
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881895
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4008225
ethyl 5-[2-(2-benzamidoacetyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55318842
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 8579374
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 3343545
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593200
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193619
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3965186
ethyl 2,4-dimethyl-5-[2-(naphthalene-1-carbonyloxy)acetyl]-1H-pyrrole-3-carboxylate
CID 5145291
methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 30029794
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573915

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 8573312) is [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1C.
What is the InChIKey of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is HWPRYDPTZUPOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-23(16(3)27)15(2)26-24(14)20(28)13-31-22(30)12-25-21(29)11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,26H,11-13H2,1-3H3,(H,25,29).
What are the key properties of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 420.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 8573312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).