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

C26H31N3O4 — CID 150398217

IUPACN-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
SMILESCC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H](C(C)C)N(C(C)=O)C=C1c1ccccc1
InChIInChI=1S/C26H31N3O4/c1-17(2)24-26(33)29(23(16-28(24)19(4)31)21-13-9-6-10-14-21)22(25(32)27-18(3)30)15-20-11-7-5-8-12-20/h5-14,16-17,22,24-25,32H,15H2,1-4H3,(H,27,30)/t22-,24+,25?/m0/s1
InChIKeyHDEWWGOLHKCVNQ-LNJIZIIWSA-N
MW449.55 g/mol
LogP2.77
Rot. Bonds7

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

N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide (PubChem CID 150398217) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
PubChem CID150398217
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
SMILESCC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H](C(C)C)N(C(C)=O)C=C1c1ccccc1
InChIInChI=1S/C26H31N3O4/c1-17(2)24-26(33)29(23(16-28(24)19(4)31)21-13-9-6-10-14-21)22(25(32)27-18(3)30)15-20-11-7-5-8-12-20/h5-14,16-17,22,24-25,32H,15H2,1-4H3,(H,27,30)/t22-,24+,25?/m0/s1
InChIKeyHDEWWGOLHKCVNQ-LNJIZIIWSA-N
XLogP2.77
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
CID 151050685
methyl (2S)-2-[[2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-3-phenylpropanoate
CID 86759893
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
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
ethyl 4-[(2S)-3-acetamido-3-hydroxy-4-oxo-1-phenyl-4-propan-2-yloxybutan-2-yl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 151784187
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
N-[(2S)-1-cyano-1-hydroxy-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
CID 152701262
2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
CID 22284374
N-[(2S)-2-(1-benzoyl-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 151522799
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-[3-[1-benzoyl-5-(3-methoxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]-1,1,1-trifluoro-2-hydroxy-4-phenylbutan-2-yl]acetamide
CID 150157905

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide?
The IUPAC name of 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) is N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide?
The canonical SMILES for N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide is CC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H](C(C)C)N(C(C)=O)C=C1c1ccccc1.
What is the InChIKey of N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide?
The InChIKey is HDEWWGOLHKCVNQ-LNJIZIIWSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17(2)24-26(33)29(23(16-28(24)19(4)31)21-13-9-6-10-14-21)22(25(32)27-18(3)30)15-20-11-7-5-8-12-20/h5-14,16-17,22,24-25,32H,15H2,1-4H3,(H,27,30)/t22-,24+,25?/m0/s1.
What are the key properties of N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide?
N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide is sourced from PubChem (CID 150398217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).