4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C18H22N2O — CID 35939821

IUPAC4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-13(16-7-5-6-12-19-16)20-17(21)14-8-10-15(11-9-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyHDYCKLOKTKQXHR-ZDUSSCGKSA-N
MW282.39 g/mol
LogP3.87
Rot. Bonds3

About 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide

4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 35939821) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID35939821
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-13(16-7-5-6-12-19-16)20-17(21)14-8-10-15(11-9-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyHDYCKLOKTKQXHR-ZDUSSCGKSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431689
N-[(1S)-1-pyridin-2-ylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 170903439
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 35939821) is 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1.
What is the InChIKey of 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is HDYCKLOKTKQXHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(16-7-5-6-12-19-16)20-17(21)14-8-10-15(11-9-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 35939821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).