N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

C25H29N3O2 — CID 55348131

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C25H29N3O2/c1-6-20-12-8-9-13-22(20)26-24(29)16-27(5)25(30)21-15-18(3)28(19(21)4)23-14-10-7-11-17(23)2/h7-15H,6,16H2,1-5H3,(H,26,29)
InChIKeyFVDLCJPMAWYNAB-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 55348131) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID55348131
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C25H29N3O2/c1-6-20-12-8-9-13-22(20)26-24(29)16-27(5)25(30)21-15-18(3)28(19(21)4)23-14-10-7-11-17(23)2/h7-15H,6,16H2,1-5H3,(H,26,29)
InChIKeyFVDLCJPMAWYNAB-UHFFFAOYSA-N
XLogP4.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55532619
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203
N,2,5-trimethyl-1-(2-methylphenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrole-3-carboxamide
CID 55347966
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78894067
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676389
N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55635322
methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78771701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (CID 55348131) is N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is FVDLCJPMAWYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-6-20-12-8-9-13-22(20)26-24(29)16-27(5)25(30)21-15-18(3)28(19(21)4)23-14-10-7-11-17(23)2/h7-15H,6,16H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55348131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).