N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H17N3O3 — CID 41077979

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3/c1-13(18-10-14-6-2-5-9-17(14)26-18)22-19(24)12-23-16-8-4-3-7-15(16)21-11-20(23)25/h2-11,13H,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPDPYVEOFGOJAKK-ZDUSSCGKSA-N
MW347.37 g/mol
LogP3.02
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 41077979) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID41077979
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3/c1-13(18-10-14-6-2-5-9-17(14)26-18)22-19(24)12-23-16-8-4-3-7-15(16)21-11-20(23)25/h2-11,13H,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPDPYVEOFGOJAKK-ZDUSSCGKSA-N
XLogP3.02
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55890335
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
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 46828655
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 41088479

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 41077979) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is PDPYVEOFGOJAKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(18-10-14-6-2-5-9-17(14)26-18)22-19(24)12-23-16-8-4-3-7-15(16)21-11-20(23)25/h2-11,13H,12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 41077979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).