1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide

C21H27N3O2 — CID 17454203

IUPAC1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C21H27N3O2/c1-5-16-8-6-7-9-19(16)22-20(25)13-23(4)21(26)18-12-14(2)24(15(18)3)17-10-11-17/h6-9,12,17H,5,10-11,13H2,1-4H3,(H,22,25)
InChIKeyLQAXKOXZZBBKAR-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.71
Rot. Bonds6

About 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 17454203) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID17454203
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C21H27N3O2/c1-5-16-8-6-7-9-19(16)22-20(25)13-23(4)21(26)18-12-14(2)24(15(18)3)17-10-11-17/h6-9,12,17H,5,10-11,13H2,1-4H3,(H,22,25)
InChIKeyLQAXKOXZZBBKAR-UHFFFAOYSA-N
XLogP3.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide 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

N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 55348131
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55532619
2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 51146977
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672512

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide (CID 17454203) is 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is LQAXKOXZZBBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16-8-6-7-9-19(16)22-20(25)13-23(4)21(26)18-12-14(2)24(15(18)3)17-10-11-17/h6-9,12,17H,5,10-11,13H2,1-4H3,(H,22,25).
What are the key properties of 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 17454203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).