tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate

C26H43N3O5 — CID 89167460

IUPACtert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C26H43N3O5/c1-26(2,3)34-25(31)27-15-11-6-4-5-10-14-24(30)29(22-23-12-8-7-9-13-23)33-21-18-28-16-19-32-20-17-28/h7-9,12-13H,4-6,10-11,14-22H2,1-3H3,(H,27,31)
InChIKeyHONBAYIWSFBAFM-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.14
Rot. Bonds14

About tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate

tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate (PubChem CID 89167460) has the molecular formula C26H43N3O5 and a molecular weight of 477.65 g/mol. Its IUPAC name is tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate
PubChem CID89167460
Molecular FormulaC26H43N3O5
Molecular Weight477.65 g/mol
Exact Mass477.32
IUPAC Nametert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C26H43N3O5/c1-26(2,3)34-25(31)27-15-11-6-4-5-10-14-24(30)29(22-23-12-8-7-9-13-23)33-21-18-28-16-19-32-20-17-28/h7-9,12-13H,4-6,10-11,14-22H2,1-3H3,(H,27,31)
InChIKeyHONBAYIWSFBAFM-UHFFFAOYSA-N
XLogP4.14
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate?
The IUPAC name of tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate (CID 89167460) is tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate.
What is the SMILES notation for tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate?
The canonical SMILES for tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate is CC(C)(C)OC(=O)NCCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1.
What is the InChIKey of tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate?
The InChIKey is HONBAYIWSFBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O5/c1-26(2,3)34-25(31)27-15-11-6-4-5-10-14-24(30)29(22-23-12-8-7-9-13-23)33-21-18-28-16-19-32-20-17-28/h7-9,12-13H,4-6,10-11,14-22H2,1-3H3,(H,27,31).
What are the key properties of tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate?
tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate has a molecular weight of 477.65 g/mol, XLogP of 4.14, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate is sourced from PubChem (CID 89167460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).