tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane

C20H38N4O3 — CID 144708900

IUPACtert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane
SMILESCC.Cc1nn(C2CCCCO2)cc1CN(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O3.C2H6/c1-14-15(13-22(20-14)16-8-6-7-11-24-16)12-21(5)10-9-19-17(23)25-18(2,3)4;1-2/h13,16H,6-12H2,1-5H3,(H,19,23);1-2H3
InChIKeyUVUGUCVFQPMKSJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane

tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane (PubChem CID 144708900) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane
PubChem CID144708900
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Nametert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane
SMILESCC.Cc1nn(C2CCCCO2)cc1CN(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O3.C2H6/c1-14-15(13-22(20-14)16-8-6-7-11-24-16)12-21(5)10-9-19-17(23)25-18(2,3)4;1-2/h13,16H,6-12H2,1-5H3,(H,19,23);1-2H3
InChIKeyUVUGUCVFQPMKSJ-UHFFFAOYSA-N
XLogP3.87
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane (CID 144708900) is tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane is CC.Cc1nn(C2CCCCO2)cc1CN(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane?
The InChIKey is UVUGUCVFQPMKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3.C2H6/c1-14-15(13-22(20-14)16-8-6-7-11-24-16)12-21(5)10-9-19-17(23)25-18(2,3)4;1-2/h13,16H,6-12H2,1-5H3,(H,19,23);1-2H3.
What are the key properties of tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane?
tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane has a molecular weight of 382.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane is sourced from PubChem (CID 144708900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).