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

C28H35N3O4 — CID 151050685

IUPACN-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
SMILESCC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)C(C(C)C)N(C(=O)C(C)C)C=C1c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-18(2)25-28(35)31(23(26(33)29-20(5)32)16-21-12-8-6-9-13-21)24(22-14-10-7-11-15-22)17-30(25)27(34)19(3)4/h6-15,17-19,23,25-26,33H,16H2,1-5H3,(H,29,32)/t23-,25?,26?/m0/s1
InChIKeyMEBHGFCUAJLIIM-XPWZEYHZSA-N
MW477.61 g/mol
LogP3.40
Rot. Bonds8

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

N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide (PubChem CID 151050685) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
PubChem CID151050685
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
SMILESCC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)C(C(C)C)N(C(=O)C(C)C)C=C1c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-18(2)25-28(35)31(23(26(33)29-20(5)32)16-21-12-8-6-9-13-21)24(22-14-10-7-11-15-22)17-30(25)27(34)19(3)4/h6-15,17-19,23,25-26,33H,16H2,1-5H3,(H,29,32)/t23-,25?,26?/m0/s1
InChIKeyMEBHGFCUAJLIIM-XPWZEYHZSA-N
XLogP3.40
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.40
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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Related Compounds

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
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
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
N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide
CID 142653564
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
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)-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
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-[(2S)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 67551819
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
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
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-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide?
The IUPAC name of 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) is N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide is CC(=O)NC(O)[C@H](Cc1ccccc1)N1C(=O)C(C(C)C)N(C(=O)C(C)C)C=C1c1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide?
The InChIKey is MEBHGFCUAJLIIM-XPWZEYHZSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-18(2)25-28(35)31(23(26(33)29-20(5)32)16-21-12-8-6-9-13-21)24(22-14-10-7-11-15-22)17-30(25)27(34)19(3)4/h6-15,17-19,23,25-26,33H,16H2,1-5H3,(H,29,32)/t23-,25?,26?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide?
N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide has a molecular weight of 477.61 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide is sourced from PubChem (CID 151050685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).