N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

C23H27N3O4 — CID 46295554

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)c(C)nc3cc(C)c(C)cc32)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-14-10-19-20(11-15(14)2)26(23(28)16(3)25-19)13-22(27)24-9-8-17-6-7-18(29-4)12-21(17)30-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27)
InChIKeyHBZSLYNNPNEDHZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 46295554) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID46295554
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)c(C)nc3cc(C)c(C)cc32)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-14-10-19-20(11-15(14)2)26(23(28)16(3)25-19)13-22(27)24-9-8-17-6-7-18(29-4)12-21(17)30-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27)
InChIKeyHBZSLYNNPNEDHZ-UHFFFAOYSA-N
XLogP2.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295540
N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768093
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924646
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944146
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324607
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768130
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (CID 46295554) is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is COc1ccc(CCNC(=O)Cn2c(=O)c(C)nc3cc(C)c(C)cc32)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is HBZSLYNNPNEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14-10-19-20(11-15(14)2)26(23(28)16(3)25-19)13-22(27)24-9-8-17-6-7-18(29-4)12-21(17)30-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).