N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide

C20H27N2O+ — CID 8862640

IUPACN-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-6-16-8-7-15(2)22(13-16)14-19(23)21-18-11-9-17(10-12-18)20(3,4)5/h7-13H,6,14H2,1-5H3/p+1
InChIKeyYRFWGCKIQILZQD-UHFFFAOYSA-O
MW311.45 g/mol
LogP3.78
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide

N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8862640) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8862640
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC NameN-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-6-16-8-7-15(2)22(13-16)14-19(23)21-18-11-9-17(10-12-18)20(3,4)5/h7-13H,6,14H2,1-5H3/p+1
InChIKeyYRFWGCKIQILZQD-UHFFFAOYSA-O
XLogP3.78
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8862919
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8860911
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 8860808
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 8616653
1-tert-butyl-4-ethylbenzene
CID 157359507
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
CID 166195697

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide (CID 8862640) is N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide is CCc1ccc(C)[n+](CC(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is YRFWGCKIQILZQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-6-16-8-7-15(2)22(13-16)14-19(23)21-18-11-9-17(10-12-18)20(3,4)5/h7-13H,6,14H2,1-5H3/p+1.
What are the key properties of N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8862640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).