N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C22H27N3O6 — CID 71507273

IUPACN-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC(C)(C)C)N2CC(=O)n3cccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C22H27N3O6/c1-22(2,3)23-20(27)18(13-10-15(29-4)19(31-6)16(11-13)30-5)25-12-17(26)24-9-7-8-14(24)21(25)28/h7-11,18H,12H2,1-6H3,(H,23,27)
InChIKeyVOGCNIHHNUXRHR-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.27
Rot. Bonds6

About N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 71507273) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID71507273
Molecular FormulaC22H27N3O6
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC NameN-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC(C)(C)C)N2CC(=O)n3cccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C22H27N3O6/c1-22(2,3)23-20(27)18(13-10-15(29-4)19(31-6)16(11-13)30-5)25-12-17(26)24-9-7-8-14(24)21(25)28/h7-11,18H,12H2,1-6H3,(H,23,27)
InChIKeyVOGCNIHHNUXRHR-UHFFFAOYSA-N
XLogP2.27
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 71507273) is N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(C(=O)NC(C)(C)C)N2CC(=O)n3cccc3C2=O)cc(OC)c1OC.
What is the InChIKey of N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VOGCNIHHNUXRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-22(2,3)23-20(27)18(13-10-15(29-4)19(31-6)16(11-13)30-5)25-12-17(26)24-9-7-8-14(24)21(25)28/h7-11,18H,12H2,1-6H3,(H,23,27).
What are the key properties of N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 429.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 71507273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).