2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone

C18H24N2O — CID 124628912

IUPAC2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1cccn1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)14-8-10-15(11-9-14)20(5)13-17(21)16-7-6-12-19(16)4/h6-12H,13H2,1-5H3
InChIKeyBDDYOJNFTXXUHQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone

2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 124628912) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID124628912
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1cccn1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)14-8-10-15(11-9-14)20(5)13-17(21)16-7-6-12-19(16)4/h6-12H,13H2,1-5H3
InChIKeyBDDYOJNFTXXUHQ-UHFFFAOYSA-N
XLogP3.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone (CID 124628912) is 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone is CN(CC(=O)c1cccn1C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is BDDYOJNFTXXUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)14-8-10-15(11-9-14)20(5)13-17(21)16-7-6-12-19(16)4/h6-12H,13H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 124628912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).