4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

C19H24N2O3 — CID 24616440

IUPAC4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-13(22)14-11-17(21-12-14)18(23)20-9-10-24-16-7-5-15(6-8-16)19(2,3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,20,23)
InChIKeySSTXCHOZVPMWTM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.32
Rot. Bonds6

About 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 24616440) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID24616440
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-13(22)14-11-17(21-12-14)18(23)20-9-10-24-16-7-5-15(6-8-16)19(2,3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,20,23)
InChIKeySSTXCHOZVPMWTM-UHFFFAOYSA-N
XLogP3.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-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

4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
CID 51088901
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 17442920
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
N-[2-(4-tert-butylphenoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31336475
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088554
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 24616440) is 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SSTXCHOZVPMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(22)14-11-17(21-12-14)18(23)20-9-10-24-16-7-5-15(6-8-16)19(2,3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,20,23).
What are the key properties of 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24616440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).