N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide

C17H20N2O2 — CID 82030896

IUPACN-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cccc2C=O)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)13-6-8-14(9-7-13)18-16(21)11-19-10-4-5-15(19)12-20/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyLOMWASYPKDFLKK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide

N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide (PubChem CID 82030896) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
PubChem CID82030896
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cccc2C=O)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)13-6-8-14(9-7-13)18-16(21)11-19-10-4-5-15(19)12-20/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyLOMWASYPKDFLKK-UHFFFAOYSA-N
XLogP3.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(2-formylpyrrol-1-yl)acetyl]amino]benzoate
CID 71683659
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
N-ethyl-2-(2-formylpyrrol-1-yl)acetamide
CID 66410312
2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
CID 66408770
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
(E)-3-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150273
N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821982
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-tert-butylphenyl)acetamide
CID 82031681
methyl 2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39149048

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide (CID 82030896) is N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide is CC(C)(C)c1ccc(NC(=O)Cn2cccc2C=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The InChIKey is LOMWASYPKDFLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)13-6-8-14(9-7-13)18-16(21)11-19-10-4-5-15(19)12-20/h4-10,12H,11H2,1-3H3,(H,18,21).
What are the key properties of N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide is sourced from PubChem (CID 82030896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).