N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide

C23H25N2O+ — CID 4142031

IUPACN-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2cccc[nH+]2)cc1
InChIInChI=1S/C23H24N2O/c1-23(2,3)20-14-12-19(13-15-20)22(26)25(21-11-7-8-16-24-21)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/p+1
InChIKeyOBKYKQNEGSGTER-UHFFFAOYSA-O
MW345.47 g/mol
LogP4.65
Rot. Bonds4

About N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide

N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide (PubChem CID 4142031) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide
PubChem CID4142031
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC NameN-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2cccc[nH+]2)cc1
InChIInChI=1S/C23H24N2O/c1-23(2,3)20-14-12-19(13-15-20)22(26)25(21-11-7-8-16-24-21)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/p+1
InChIKeyOBKYKQNEGSGTER-UHFFFAOYSA-O
XLogP4.65
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-ethoxy-N-pyridin-1-ium-2-ylbenzamide
CID 4743234
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide?
The IUPAC name of N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide (CID 4142031) is N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide.
What is the SMILES notation for N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide?
The canonical SMILES for N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide is CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2cccc[nH+]2)cc1.
What is the InChIKey of N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide?
The InChIKey is OBKYKQNEGSGTER-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N2O/c1-23(2,3)20-14-12-19(13-15-20)22(26)25(21-11-7-8-16-24-21)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/p+1.
What are the key properties of N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide?
N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide has a molecular weight of 345.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide is sourced from PubChem (CID 4142031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).