N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide

C18H21N3O3 — CID 71507194

IUPACN-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
SMILESCC1C(=O)n2c(cc3ccccc32)C(=O)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H21N3O3/c1-11-16(23)21-13-8-6-5-7-12(13)9-14(21)17(24)20(11)10-15(22)19-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,19,22)
InChIKeyLEIWITQVOPDCOB-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide

N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide (PubChem CID 71507194) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
PubChem CID71507194
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
SMILESCC1C(=O)n2c(cc3ccccc32)C(=O)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H21N3O3/c1-11-16(23)21-13-8-6-5-7-12(13)9-14(21)17(24)20(11)10-15(22)19-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,19,22)
InChIKeyLEIWITQVOPDCOB-UHFFFAOYSA-N
XLogP2.04
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide (CID 71507194) is N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide is CC1C(=O)n2c(cc3ccccc32)C(=O)N1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The InChIKey is LEIWITQVOPDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-16(23)21-13-8-6-5-7-12(13)9-14(21)17(24)20(11)10-15(22)19-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide is sourced from PubChem (CID 71507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).