tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate

C17H27N5O3 — CID 154762882

IUPACtert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCC(=O)Nc1cnccn1)C1CC1
InChIInChI=1S/C17H27N5O3/c1-16(2,3)25-15(24)20-11-17(4,12-5-6-12)21-10-14(23)22-13-9-18-7-8-19-13/h7-9,12,21H,5-6,10-11H2,1-4H3,(H,20,24)(H,19,22,23)
InChIKeyFDJYVOYOJOGSCG-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.70
Rot. Bonds7

About tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate (PubChem CID 154762882) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
PubChem CID154762882
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCC(=O)Nc1cnccn1)C1CC1
InChIInChI=1S/C17H27N5O3/c1-16(2,3)25-15(24)20-11-17(4,12-5-6-12)21-10-14(23)22-13-9-18-7-8-19-13/h7-9,12,21H,5-6,10-11H2,1-4H3,(H,20,24)(H,19,22,23)
InChIKeyFDJYVOYOJOGSCG-UHFFFAOYSA-N
XLogP1.70
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate (CID 154762882) is tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NCC(=O)Nc1cnccn1)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate?
The InChIKey is FDJYVOYOJOGSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-16(2,3)25-15(24)20-11-17(4,12-5-6-12)21-10-14(23)22-13-9-18-7-8-19-13/h7-9,12,21H,5-6,10-11H2,1-4H3,(H,20,24)(H,19,22,23).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate has a molecular weight of 349.44 g/mol, XLogP of 1.70, 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-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 154762882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).