2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C21H27N3O2 — CID 8785485

IUPAC2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-14-5-7-17(8-6-14)22-21(26)13-23(4)12-20(25)19-11-15(2)24(16(19)3)18-9-10-18/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyGCPBXPSVSQFLJS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds7

About 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8785485) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8785485
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-14-5-7-17(8-6-14)22-21(26)13-23(4)12-20(25)19-11-15(2)24(16(19)3)18-9-10-18/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyGCPBXPSVSQFLJS-UHFFFAOYSA-N
XLogP3.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
2-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8804813
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
CID 8551600
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 7957911
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672628
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
CID 71867393
2-[methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786312
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672683
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8785485) is 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1.
What is the InChIKey of 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is GCPBXPSVSQFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-5-7-17(8-6-14)22-21(26)13-23(4)12-20(25)19-11-15(2)24(16(19)3)18-9-10-18/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8785485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).