1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid

C18H22N2O4 — CID 53096015

IUPAC1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H22N2O4/c1-4-20-11-12(2)17(18(22)23)15(20)9-16(21)19-10-13-5-7-14(24-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyRWIGRTWZHWLLTF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.38
Rot. Bonds7

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

1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid (PubChem CID 53096015) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
PubChem CID53096015
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H22N2O4/c1-4-20-11-12(2)17(18(22)23)15(20)9-16(21)19-10-13-5-7-14(24-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyRWIGRTWZHWLLTF-UHFFFAOYSA-N
XLogP2.38
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
CID 53043101
2-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53043111
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid (CID 53096015) is 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid is CCn1cc(C)c(C(=O)O)c1CC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The InChIKey is RWIGRTWZHWLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-20-11-12(2)17(18(22)23)15(20)9-16(21)19-10-13-5-7-14(24-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 53096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).