tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate

C15H23N5O4 — CID 108918789

IUPACtert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C15H23N5O4/c1-15(2,3)24-14(23)20-10-12(21)18-5-4-6-19-13(22)11-9-16-7-8-17-11/h7-9H,4-6,10H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyHEDCAEIXULTKCH-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.24
Rot. Bonds7

About tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate (PubChem CID 108918789) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
PubChem CID108918789
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Nametert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C15H23N5O4/c1-15(2,3)24-14(23)20-10-12(21)18-5-4-6-19-13(22)11-9-16-7-8-17-11/h7-9H,4-6,10H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyHEDCAEIXULTKCH-UHFFFAOYSA-N
XLogP0.24
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate
CID 47058851
tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
CID 108918758
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
tert-butyl N-[3-oxo-3-[3-(pyridine-2-carbonylamino)propylamino]propyl]carbamate
CID 108921655
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918698
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate (CID 108918789) is tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1cnccn1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate?
The InChIKey is HEDCAEIXULTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-15(2,3)24-14(23)20-10-12(21)18-5-4-6-19-13(22)11-9-16-7-8-17-11/h7-9H,4-6,10H2,1-3H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate is sourced from PubChem (CID 108918789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).