N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C21H23N3O3 — CID 97019470

IUPACN-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@@H](O)C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(25)11-17(16-7-3-2-4-8-16)12-23-20(26)14-24-19-10-6-5-9-18(19)22-13-21(24)27/h2-10,13,15,17,25H,11-12,14H2,1H3,(H,23,26)/t15-,17-/m1/s1
InChIKeySRIUTSSZKUUXTL-NVXWUHKLSA-N
MW365.43 g/mol
LogP2.07
Rot. Bonds7

About N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 97019470) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID97019470
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@@H](O)C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(25)11-17(16-7-3-2-4-8-16)12-23-20(26)14-24-19-10-6-5-9-18(19)22-13-21(24)27/h2-10,13,15,17,25H,11-12,14H2,1H3,(H,23,26)/t15-,17-/m1/s1
InChIKeySRIUTSSZKUUXTL-NVXWUHKLSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111119852
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31591027
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 97019470) is N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide is C[C@@H](O)C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is SRIUTSSZKUUXTL-NVXWUHKLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)11-17(16-7-3-2-4-8-16)12-23-20(26)14-24-19-10-6-5-9-18(19)22-13-21(24)27/h2-10,13,15,17,25H,11-12,14H2,1H3,(H,23,26)/t15-,17-/m1/s1.
What are the key properties of N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 97019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).