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

C23H33N3O4 — CID 171143210

IUPACN-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCOc1ccccc1CCC(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C
InChIInChI=1S/C23H33N3O4/c1-15(2)11-20-23(29)25-13-18(24-16(3)27)12-19(25)14-26(20)22(28)10-9-17-7-5-6-8-21(17)30-4/h5-8,15,18-20H,9-14H2,1-4H3,(H,24,27)
InChIKeyBPXGRRYYWASGLT-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.99
Rot. Bonds7

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

N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (PubChem CID 171143210) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
PubChem CID171143210
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCOc1ccccc1CCC(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C
InChIInChI=1S/C23H33N3O4/c1-15(2)11-20-23(29)25-13-18(24-16(3)27)12-19(25)14-26(20)22(28)10-9-17-7-5-6-8-21(17)30-4/h5-8,15,18-20H,9-14H2,1-4H3,(H,24,27)
InChIKeyBPXGRRYYWASGLT-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
CID 164690786
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
(1R,5S)-3-[3-(2-methoxyphenyl)propanoyl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 77085971
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-[1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 156606821
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (CID 171143210) is N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is COc1ccccc1CCC(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C.
What is the InChIKey of N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The InChIKey is BPXGRRYYWASGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-15(2)11-20-23(29)25-13-18(24-16(3)27)12-19(25)14-26(20)22(28)10-9-17-7-5-6-8-21(17)30-4/h5-8,15,18-20H,9-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide has a molecular weight of 415.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 171143210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).