ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate

C23H24N2O4 — CID 4121121

IUPACethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(OC)c2)c1C
InChIInChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-9-6-5-7-10-17)25(16(20)2)15-22(26)24-18-11-8-12-19(13-18)28-3/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyNOZNFSPWFLQJRK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.29
Rot. Bonds7

About ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate

ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate (PubChem CID 4121121) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
PubChem CID4121121
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(OC)c2)c1C
InChIInChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-9-6-5-7-10-17)25(16(20)2)15-22(26)24-18-11-8-12-19(13-18)28-3/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyNOZNFSPWFLQJRK-UHFFFAOYSA-N
XLogP4.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(3-methoxy-phenyl)-acetamide
CID 965857
3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester
CID 2475619
N-(3-(4-(2,3-Dimethoxyphenyl)piperazin-1-yl)propyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 49863693
N-(3-(4-(3-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 49863774
N-(3-(4-(2,3-Dimethoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 49863775
CB2 Inhibitor, 4
CID 7599208
N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indolyl]acetamide
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3-(1-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
CID 2221959
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 2228390
3-[1-(4-carbamoylphenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate (CID 4121121) is ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(OC)c2)c1C.
What is the InChIKey of ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The InChIKey is NOZNFSPWFLQJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-9-6-5-7-10-17)25(16(20)2)15-22(26)24-18-11-8-12-19(13-18)28-3/h5-14H,4,15H2,1-3H3,(H,24,26).
What are the key properties of ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 4121121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).