N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C21H24N4O2 — CID 31591027

IUPACN-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CCCNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-2-24(17-9-4-3-5-10-17)14-8-13-22-20(26)16-25-19-12-7-6-11-18(19)23-15-21(25)27/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,22,26)
InChIKeyVXNGPPRLMMYSBG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.43
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 31591027) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID31591027
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CCCNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-2-24(17-9-4-3-5-10-17)14-8-13-22-20(26)16-25-19-12-7-6-11-18(19)23-15-21(25)27/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,22,26)
InChIKeyVXNGPPRLMMYSBG-UHFFFAOYSA-N
XLogP2.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
CID 31838969
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17412450
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 31591027) is N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CCCNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is VXNGPPRLMMYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-24(17-9-4-3-5-10-17)14-8-13-22-20(26)16-25-19-12-7-6-11-18(19)23-15-21(25)27/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,22,26).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 31591027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).