4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide

C24H28N2O2 — CID 38168396

IUPAC4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)21-11-9-20(10-12-21)23(28)25-17-22(27)26-15-13-19(14-16-26)18-7-5-4-6-8-18/h4-13H,14-17H2,1-3H3,(H,25,28)
InChIKeyKHPCLTPAIFOVAV-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.03
Rot. Bonds4

About 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide (PubChem CID 38168396) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
PubChem CID38168396
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)21-11-9-20(10-12-21)23(28)25-17-22(27)26-15-13-19(14-16-26)18-7-5-4-6-8-18/h4-13H,14-17H2,1-3H3,(H,25,28)
InChIKeyKHPCLTPAIFOVAV-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 166196938
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17458334
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8599291
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8638393
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide (CID 38168396) is 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide?
The InChIKey is KHPCLTPAIFOVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-24(2,3)21-11-9-20(10-12-21)23(28)25-17-22(27)26-15-13-19(14-16-26)18-7-5-4-6-8-18/h4-13H,14-17H2,1-3H3,(H,25,28).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide is sourced from PubChem (CID 38168396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).