N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

C19H27N3O3 — CID 171143237

IUPACN-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCCOc1ccc(CN2CC3CC(NC(C)=O)CN3C(=O)C2C)cc1
InChIInChI=1S/C19H27N3O3/c1-4-25-18-7-5-15(6-8-18)10-21-12-17-9-16(20-14(3)23)11-22(17)19(24)13(21)2/h5-8,13,16-17H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyKQZCDMPJCKMPNZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.39
Rot. Bonds5

About N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (PubChem CID 171143237) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
PubChem CID171143237
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCCOc1ccc(CN2CC3CC(NC(C)=O)CN3C(=O)C2C)cc1
InChIInChI=1S/C19H27N3O3/c1-4-25-18-7-5-15(6-8-18)10-21-12-17-9-16(20-14(3)23)11-22(17)19(24)13(21)2/h5-8,13,16-17H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyKQZCDMPJCKMPNZ-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143230
N-[[(3S,7S,8aS)-7-acetamido-2-[(3-chloro-4-fluorophenyl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155556
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 71687120
N-[[(3S,7S,8aS)-7-acetamido-2-[(4-fluoro-3-methoxyphenyl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155565
[4-[(3-acetamido-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate
CID 76639118
N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
CID 171155509
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 71687130
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidine-2-carboxylate
CID 42366473
trans-(1R,2S)-2-[1-[(4-ethoxyphenyl)methyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 167963367

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (CID 171143237) is N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is CCOc1ccc(CN2CC3CC(NC(C)=O)CN3C(=O)C2C)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The InChIKey is KQZCDMPJCKMPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-25-18-7-5-15(6-8-18)10-21-12-17-9-16(20-14(3)23)11-22(17)19(24)13(21)2/h5-8,13,16-17H,4,9-12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 171143237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).