N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide

C20H25N3O3 — CID 50969287

IUPACN-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N2CCn3cccc3C2CC)c1
InChIInChI=1S/C20H25N3O3/c1-3-17-18-9-6-10-22(18)11-12-23(17)20(25)14-26-16-8-5-7-15(13-16)21-19(24)4-2/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyMRMHKDMVVSEPDB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide

N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide (PubChem CID 50969287) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide
PubChem CID50969287
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N2CCn3cccc3C2CC)c1
InChIInChI=1S/C20H25N3O3/c1-3-17-18-9-6-10-22(18)11-12-23(17)20(25)14-26-16-8-5-7-15(13-16)21-19(24)4-2/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyMRMHKDMVVSEPDB-UHFFFAOYSA-N
XLogP3.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 70718286
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
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(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
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(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711989
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CID 50967022
1-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 97236526
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N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
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N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide (CID 50969287) is N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)N2CCn3cccc3C2CC)c1.
What is the InChIKey of N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is MRMHKDMVVSEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-17-18-9-6-10-22(18)11-12-23(17)20(25)14-26-16-8-5-7-15(13-16)21-19(24)4-2/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50969287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).