N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide

C29H34N4O2 — CID 166332793

IUPACN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2cnccn2)cc1
InChIInChI=1S/C29H34N4O2/c1-29(2,3)22-14-16-24(17-15-22)33(28(35)21-10-6-4-7-11-21)26(25-20-30-18-19-31-25)27(34)32-23-12-8-5-9-13-23/h4,6-7,10-11,14-20,23,26H,5,8-9,12-13H2,1-3H3,(H,32,34)
InChIKeyPPGMGEGQHWLCAG-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.61
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide (PubChem CID 166332793) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
PubChem CID166332793
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2cnccn2)cc1
InChIInChI=1S/C29H34N4O2/c1-29(2,3)22-14-16-24(17-15-22)33(28(35)21-10-6-4-7-11-21)26(25-20-30-18-19-31-25)27(34)32-23-12-8-5-9-13-23/h4,6-7,10-11,14-20,23,26H,5,8-9,12-13H2,1-3H3,(H,32,34)
InChIKeyPPGMGEGQHWLCAG-UHFFFAOYSA-N
XLogP5.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-(4-tert-butylphenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 156907379
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
CID 166334145
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
CID 156892705
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
3-amino-N'-(4-tert-butylphenyl)-N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-hydrazinylbut-2-enediamide
CID 156892617
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-methylpyrrolidine-2-carboxamide
CID 156893109

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide (CID 166332793) is N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide is CC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2cnccn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The InChIKey is PPGMGEGQHWLCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-29(2,3)22-14-16-24(17-15-22)33(28(35)21-10-6-4-7-11-21)26(25-20-30-18-19-31-25)27(34)32-23-12-8-5-9-13-23/h4,6-7,10-11,14-20,23,26H,5,8-9,12-13H2,1-3H3,(H,32,34).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide is sourced from PubChem (CID 166332793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).