1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid

C16H18N2O3 — CID 84755807

IUPAC1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid
SMILESCCCc1c(C(=O)O)ccn1CC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-2-6-14-13(16(20)21)9-10-18(14)11-15(19)17-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyUUJYNLYTAGSUQH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid

1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid (PubChem CID 84755807) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid
PubChem CID84755807
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid
SMILESCCCc1c(C(=O)O)ccn1CC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-2-6-14-13(16(20)21)9-10-18(14)11-15(19)17-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyUUJYNLYTAGSUQH-UHFFFAOYSA-N
XLogP2.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-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

1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
CID 172893896
1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
CID 29293383
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid
CID 84756160
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
(2R)-2-(2-anilino-2-oxoethyl)sulfanylhexanoic acid
CID 2219605
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
ethane;methane;N-phenylpropanamide
CID 159778408
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid (CID 84755807) is 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid is CCCc1c(C(=O)O)ccn1CC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid?
The InChIKey is UUJYNLYTAGSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-6-14-13(16(20)21)9-10-18(14)11-15(19)17-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid?
1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).