tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate

C14H24N4O3 — CID 114518199

IUPACtert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate
SMILESCC(C)n1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-10(2)18-9-8-16-11(12(18)19)15-6-7-17-13(20)21-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)(H,17,20)
InChIKeyRSQGIIMZUQSFON-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate (PubChem CID 114518199) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate
PubChem CID114518199
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate
SMILESCC(C)n1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-10(2)18-9-8-16-11(12(18)19)15-6-7-17-13(20)21-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)(H,17,20)
InChIKeyRSQGIIMZUQSFON-UHFFFAOYSA-N
XLogP1.76
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate (CID 114518199) is tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate is CC(C)n1ccnc(NCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate?
The InChIKey is RSQGIIMZUQSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)18-9-8-16-11(12(18)19)15-6-7-17-13(20)21-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)(H,17,20).
What are the key properties of tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114518199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).