2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide

C22H33N3O3 — CID 68997311

IUPAC2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
SMILESCCN(CC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C22H33N3O3/c1-9-24(14-21(2,3)4)18(26)13-25-17-12-15(28-8)10-11-16(17)23-19(20(25)27)22(5,6)7/h10-12H,9,13-14H2,1-8H3
InChIKeyFEPVMWDJQGUCMJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide

2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide (PubChem CID 68997311) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
PubChem CID68997311
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
SMILESCCN(CC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C22H33N3O3/c1-9-24(14-21(2,3)4)18(26)13-25-17-12-15(28-8)10-11-16(17)23-19(20(25)27)22(5,6)7/h10-12H,9,13-14H2,1-8H3
InChIKeyFEPVMWDJQGUCMJ-UHFFFAOYSA-N
XLogP3.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide?
The IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide (CID 68997311) is 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide?
The canonical SMILES for 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide is CCN(CC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21.
What is the InChIKey of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide?
The InChIKey is FEPVMWDJQGUCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-9-24(14-21(2,3)4)18(26)13-25-17-12-15(28-8)10-11-16(17)23-19(20(25)27)22(5,6)7/h10-12H,9,13-14H2,1-8H3.
What are the key properties of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide?
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide has a molecular weight of 387.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide is sourced from PubChem (CID 68997311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).