N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide

C26H29N3O4 — CID 87978684

IUPACN-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N1C=C(c2ccccc2)N(N(C(C)=O)[C@H](C=O)Cc2ccccc2)C(=O)C1C(C)C
InChIInChI=1S/C26H29N3O4/c1-18(2)25-26(33)29(24(16-27(25)19(3)31)22-13-9-6-10-14-22)28(20(4)32)23(17-30)15-21-11-7-5-8-12-21/h5-14,16-18,23,25H,15H2,1-4H3/t23-,25?/m0/s1
InChIKeyBFHSRSMLRLPFNV-LFQPHHBNSA-N
MW447.54 g/mol
LogP3.27
Rot. Bonds7

About N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide

N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 87978684) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID87978684
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N1C=C(c2ccccc2)N(N(C(C)=O)[C@H](C=O)Cc2ccccc2)C(=O)C1C(C)C
InChIInChI=1S/C26H29N3O4/c1-18(2)25-26(33)29(24(16-27(25)19(3)31)22-13-9-6-10-14-22)28(20(4)32)23(17-30)15-21-11-7-5-8-12-21/h5-14,16-18,23,25H,15H2,1-4H3/t23-,25?/m0/s1
InChIKeyBFHSRSMLRLPFNV-LFQPHHBNSA-N
XLogP3.27
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (3S)-3-[acetyl-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)amino]-2-oxo-4-phenylbutanoate
CID 91457657
N-(1-benzoyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-4-imino-3-oxo-1-phenylbutan-2-yl]acetamide
CID 91565098
propan-2-yl (3S)-3-[acetyl-[1-acetyl-2-(2-methylpropyl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]amino]-2-oxo-4-phenylbutanoate
CID 91133278
propan-2-yl (3S)-3-[acetyl-[1-(cyclohexanecarbonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]amino]-2-oxo-4-phenylbutanoate
CID 90759835
propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate
CID 90814110
N-[(2S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]-N-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]acetamide
CID 87980361
N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
CID 150398217
methyl (2S)-2-[[2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-3-phenylpropanoate
CID 86759893
2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87979058
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 150682020
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 151166410
2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-4-dimethylsilyloxy-3-hydroxy-5,5-dimethyl-1-phenylhexan-2-yl]acetamide
CID 173208427

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide (CID 87978684) is N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)N1C=C(c2ccccc2)N(N(C(C)=O)[C@H](C=O)Cc2ccccc2)C(=O)C1C(C)C.
What is the InChIKey of N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is BFHSRSMLRLPFNV-LFQPHHBNSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18(2)25-26(33)29(24(16-27(25)19(3)31)22-13-9-6-10-14-22)28(20(4)32)23(17-30)15-21-11-7-5-8-12-21/h5-14,16-18,23,25H,15H2,1-4H3/t23-,25?/m0/s1.
What are the key properties of N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?
N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 87978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).