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

C14H24N4O3 — CID 114518172

IUPACtert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate
SMILESCCCn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-5-9-18-10-8-16-11(12(18)19)15-6-7-17-13(20)21-14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16)(H,17,20)
InChIKeyLMEZKCOEJARMPY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds6

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

tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate (PubChem CID 114518172) 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-propylpyrazin-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate
PubChem CID114518172
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate
SMILESCCCn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-5-9-18-10-8-16-11(12(18)19)15-6-7-17-13(20)21-14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16)(H,17,20)
InChIKeyLMEZKCOEJARMPY-UHFFFAOYSA-N
XLogP1.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate (CID 114518172) is tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate is CCCn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate?
The InChIKey is LMEZKCOEJARMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-9-18-10-8-16-11(12(18)19)15-6-7-17-13(20)21-14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16)(H,17,20).
What are the key properties of tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.59, 6 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-propylpyrazin-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114518172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).