2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

C19H26N2O3 — CID 110654104

IUPAC2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCOc1ccc(NCC(=O)c2cc(C)n(C(C)C)c2C)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-12(2)21-13(3)9-16(14(21)4)18(22)11-20-17-8-7-15(23-5)10-19(17)24-6/h7-10,12,20H,11H2,1-6H3
InChIKeyANVMZQLHSJUYSL-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (PubChem CID 110654104) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
PubChem CID110654104
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCOc1ccc(NCC(=O)c2cc(C)n(C(C)C)c2C)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-12(2)21-13(3)9-16(14(21)4)18(22)11-20-17-8-7-15(23-5)10-19(17)24-6/h7-10,12,20H,11H2,1-6H3
InChIKeyANVMZQLHSJUYSL-UHFFFAOYSA-N
XLogP4.00
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone 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-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-propan-2-yloxyanilino)ethanone
CID 110654101
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
CID 110654070
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604381
2-(2-tert-butylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654078
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
CID 110653995
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110889489
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone
CID 110654294

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (CID 110654104) is 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is COc1ccc(NCC(=O)c2cc(C)n(C(C)C)c2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The InChIKey is ANVMZQLHSJUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)21-13(3)9-16(14(21)4)18(22)11-20-17-8-7-15(23-5)10-19(17)24-6/h7-10,12,20H,11H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone has a molecular weight of 330.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110654104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).