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

C21H21N3O4 — CID 71507041

IUPACN-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N1CC(=O)n2c(cc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O4/c1-21(2,3)22-19(26)18(16-9-6-10-28-16)23-12-17(25)24-14-8-5-4-7-13(14)11-15(24)20(23)27/h4-11,18H,12H2,1-3H3,(H,22,26)
InChIKeyKZKXAHMFZVPPCA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.99
Rot. Bonds3

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

N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide (PubChem CID 71507041) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide
PubChem CID71507041
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N1CC(=O)n2c(cc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O4/c1-21(2,3)22-19(26)18(16-9-6-10-28-16)23-12-17(25)24-14-8-5-4-7-13(14)11-15(24)20(23)27/h4-11,18H,12H2,1-3H3,(H,22,26)
InChIKeyKZKXAHMFZVPPCA-UHFFFAOYSA-N
XLogP2.99
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide (CID 71507041) is N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide is CC(C)(C)NC(=O)C(c1ccco1)N1CC(=O)n2c(cc3ccccc32)C1=O.
What is the InChIKey of N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide?
The InChIKey is KZKXAHMFZVPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-21(2,3)22-19(26)18(16-9-6-10-28-16)23-12-17(25)24-14-8-5-4-7-13(14)11-15(24)20(23)27/h4-11,18H,12H2,1-3H3,(H,22,26).
What are the key properties of N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide?
N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 71507041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).