ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate

C19H28N4O3 — CID 171680300

IUPACethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate
SMILESCCCCCCC(CC)(NC(=O)c1cnc2cnccn12)C(=O)OCC
InChIInChI=1S/C19H28N4O3/c1-4-7-8-9-10-19(5-2,18(25)26-6-3)22-17(24)15-13-21-16-14-20-11-12-23(15)16/h11-14H,4-10H2,1-3H3,(H,22,24)
InChIKeyMTDYFMKKKOOILP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.14
Rot. Bonds10

About ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate

ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate (PubChem CID 171680300) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate
PubChem CID171680300
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate
SMILESCCCCCCC(CC)(NC(=O)c1cnc2cnccn12)C(=O)OCC
InChIInChI=1S/C19H28N4O3/c1-4-7-8-9-10-19(5-2,18(25)26-6-3)22-17(24)15-13-21-16-14-20-11-12-23(15)16/h11-14H,4-10H2,1-3H3,(H,22,24)
InChIKeyMTDYFMKKKOOILP-UHFFFAOYSA-N
XLogP3.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680276
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617
acetic acid;ethyl 2,2-diheptylnonanoate
CID 87375889
ethyl 2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butanoate
CID 79471998
ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)heptanoate
CID 22618779
9-ethoxycarbonyl-9-ethylpentadecanoic acid
CID 87133036
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
19-ethoxycarbonyl-19-octylheptacosanoic acid
CID 89462870
ethyl 2,2,7,7,8,8,9,9-octaheptylhexadecanoate
CID 18373114
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)ethanamine
CID 115674360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate?
The IUPAC name of ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate (CID 171680300) is ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate?
The canonical SMILES for ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate is CCCCCCC(CC)(NC(=O)c1cnc2cnccn12)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate?
The InChIKey is MTDYFMKKKOOILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-7-8-9-10-19(5-2,18(25)26-6-3)22-17(24)15-13-21-16-14-20-11-12-23(15)16/h11-14H,4-10H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate?
ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate has a molecular weight of 360.46 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(imidazo[1,2-a]pyrazine-3-carbonylamino)octanoate is sourced from PubChem (CID 171680300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).