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

C23H35N3O3 — CID 68999731

IUPAC2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C23H35N3O3/c1-9-25(13-12-22(2,3)4)19(27)15-26-18-14-16(29-8)10-11-17(18)24-20(21(26)28)23(5,6)7/h10-11,14H,9,12-13,15H2,1-8H3
InChIKeyOQNCMMDBJMHFFG-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.99
Rot. Bonds6

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

2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide (PubChem CID 68999731) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
PubChem CID68999731
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C23H35N3O3/c1-9-25(13-12-22(2,3)4)19(27)15-26-18-14-16(29-8)10-11-17(18)24-20(21(26)28)23(5,6)7/h10-11,14H,9,12-13,15H2,1-8H3
InChIKeyOQNCMMDBJMHFFG-UHFFFAOYSA-N
XLogP3.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.99
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-(3,3-dimethylbutyl)-N-ethylacetamide?
The IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide (CID 68999731) is 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide?
The canonical SMILES for 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide is CCN(CCC(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-(3,3-dimethylbutyl)-N-ethylacetamide?
The InChIKey is OQNCMMDBJMHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-9-25(13-12-22(2,3)4)19(27)15-26-18-14-16(29-8)10-11-17(18)24-20(21(26)28)23(5,6)7/h10-11,14H,9,12-13,15H2,1-8H3.
What are the key properties of 2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide?
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide has a molecular weight of 401.55 g/mol, XLogP of 3.99, 6 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-(3,3-dimethylbutyl)-N-ethylacetamide is sourced from PubChem (CID 68999731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).