1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone

C20H28N2O2 — CID 110654294

IUPAC1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone
SMILESCOc1ccc(C)cc1NCC(=O)c1cc(C)n(C(C)(C)C)c1C
InChIInChI=1S/C20H28N2O2/c1-13-8-9-19(24-7)17(10-13)21-12-18(23)16-11-14(2)22(15(16)3)20(4,5)6/h8-11,21H,12H2,1-7H3
InChIKeyRXLGVBPXFAOHRG-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.47
Rot. Bonds5

About 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone

1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone (PubChem CID 110654294) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone
PubChem CID110654294
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone
SMILESCOc1ccc(C)cc1NCC(=O)c1cc(C)n(C(C)(C)C)c1C
InChIInChI=1S/C20H28N2O2/c1-13-8-9-19(24-7)17(10-13)21-12-18(23)16-11-14(2)22(15(16)3)20(4,5)6/h8-11,21H,12H2,1-7H3
InChIKeyRXLGVBPXFAOHRG-UHFFFAOYSA-N
XLogP4.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(3,4-dimethoxyanilino)ethanone
CID 110654299
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(3,4,5-trimethoxyanilino)ethanone
CID 110654331
2-(2-bromo-4-methylanilino)-1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654323
2-(2-bromoanilino)-1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654321
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 110654209
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-propan-2-ylanilino)ethanone
CID 110654271
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
2-(5-chloro-2-methoxyanilino)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654644
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
CID 60679323
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 9099944

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone?
The IUPAC name of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone (CID 110654294) is 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone?
The canonical SMILES for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone is COc1ccc(C)cc1NCC(=O)c1cc(C)n(C(C)(C)C)c1C.
What is the InChIKey of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone?
The InChIKey is RXLGVBPXFAOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-8-9-19(24-7)17(10-13)21-12-18(23)16-11-14(2)22(15(16)3)20(4,5)6/h8-11,21H,12H2,1-7H3.
What are the key properties of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone?
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone has a molecular weight of 328.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone is sourced from PubChem (CID 110654294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).