N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

C19H25N3O2 — CID 124506022

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN1CCn2cccc2[C@@H]1C
InChIInChI=1S/C19H25N3O2/c1-15-18-8-5-9-21(18)10-11-22(15)13-19(23)20-12-16-6-3-4-7-17(16)14-24-2/h3-9,15H,10-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUAHMHLZLZKGUEP-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 124506022) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID124506022
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN1CCn2cccc2[C@@H]1C
InChIInChI=1S/C19H25N3O2/c1-15-18-8-5-9-21(18)10-11-22(15)13-19(23)20-12-16-6-3-4-7-17(16)14-24-2/h3-9,15H,10-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUAHMHLZLZKGUEP-HNNXBMFYSA-N
XLogP2.33
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 111333456
methyl 4-[[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]benzoate
CID 43013020
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-[[2-(methoxymethyl)phenyl]methyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]acetamide
CID 97023826
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567988
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567992
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
N-(5-acetamido-2-methoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 17445310

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (CID 124506022) is N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is COCc1ccccc1CNC(=O)CN1CCn2cccc2[C@@H]1C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is UAHMHLZLZKGUEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-18-8-5-9-21(18)10-11-22(15)13-19(23)20-12-16-6-3-4-7-17(16)14-24-2/h3-9,15H,10-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 124506022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).