2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid

C19H24N2O5 — CID 53043101

IUPAC2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H24N2O5/c1-5-21-11-12(2)18(19(23)24)16(21)9-17(22)20-10-13-6-14(25-3)8-15(7-13)26-4/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyJFSUIBAHRGPYRE-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.39
Rot. Bonds8

About 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid

2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid (PubChem CID 53043101) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
PubChem CID53043101
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H24N2O5/c1-5-21-11-12(2)18(19(23)24)16(21)9-17(22)20-10-13-6-14(25-3)8-15(7-13)26-4/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyJFSUIBAHRGPYRE-UHFFFAOYSA-N
XLogP2.39
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
CID 53096015
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
CID 53096040
1-ethyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
CID 53043103
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
CID 53095950
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[(3,5-dimethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 1457746
2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53095849
N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
CID 120705320
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
2-[2-[(2-ethoxyphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53095874
3-[(3,5-dimethoxyphenyl)methylcarbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19579262

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The IUPAC name of 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid (CID 53043101) is 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid is CCn1cc(C)c(C(=O)O)c1CC(=O)NCc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The InChIKey is JFSUIBAHRGPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-21-11-12(2)18(19(23)24)16(21)9-17(22)20-10-13-6-14(25-3)8-15(7-13)26-4/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 53043101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).