N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide

C17H22N2O — CID 53147991

IUPACN-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
SMILESCc1ccc(-n2cccc2CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-13-7-9-14(10-8-13)19-11-5-6-15(19)12-16(20)18-17(2,3)4/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyXJJGRUIBCHRNEP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds3

About N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide

N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide (PubChem CID 53147991) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
PubChem CID53147991
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
SMILESCc1ccc(-n2cccc2CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-13-7-9-14(10-8-13)19-11-5-6-15(19)12-16(20)18-17(2,3)4/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyXJJGRUIBCHRNEP-UHFFFAOYSA-N
XLogP3.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide (CID 53147991) is N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide is Cc1ccc(-n2cccc2CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The InChIKey is XJJGRUIBCHRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-7-9-14(10-8-13)19-11-5-6-15(19)12-16(20)18-17(2,3)4/h5-11H,12H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide is sourced from PubChem (CID 53147991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).