N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide

C20H25N3O3 — CID 91909713

IUPACN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-26-13-12-23-17(15-22-11-5-8-18(22)20(23)25)14-21-19(24)10-9-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3,(H,21,24)
InChIKeyBVKBTDHMLMUVGF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.71
Rot. Bonds8

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide (PubChem CID 91909713) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide
PubChem CID91909713
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-26-13-12-23-17(15-22-11-5-8-18(22)20(23)25)14-21-19(24)10-9-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3,(H,21,24)
InChIKeyBVKBTDHMLMUVGF-UHFFFAOYSA-N
XLogP1.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide (CID 91909713) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide is COCCN1C(=O)c2cccn2CC1CNC(=O)CCc1ccccc1.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide?
The InChIKey is BVKBTDHMLMUVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-13-12-23-17(15-22-11-5-8-18(22)20(23)25)14-21-19(24)10-9-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3,(H,21,24).
What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide?
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 91909713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).