tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate

C18H33N3O5 — CID 55603155

IUPACtert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H33N3O5/c1-18(2,3)26-17(23)19-6-4-16(22)20-12-15(14-5-9-25-13-14)21-7-10-24-11-8-21/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyIOPUTZGUVMJXOO-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.75
Rot. Bonds7

About tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate (PubChem CID 55603155) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
PubChem CID55603155
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Nametert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H33N3O5/c1-18(2,3)26-17(23)19-6-4-16(22)20-12-15(14-5-9-25-13-14)21-7-10-24-11-8-21/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyIOPUTZGUVMJXOO-UHFFFAOYSA-N
XLogP0.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate (CID 55603155) is tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The InChIKey is IOPUTZGUVMJXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-18(2,3)26-17(23)19-6-4-16(22)20-12-15(14-5-9-25-13-14)21-7-10-24-11-8-21/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 55603155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).