tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate

C14H27N3O4 — CID 69175229

IUPACtert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-5-4-12(18)15-6-7-17-8-10-20-11-9-17/h4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyFOMASMWUAFFHFI-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.35
Rot. Bonds6

About tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate

tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (PubChem CID 69175229) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
PubChem CID69175229
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-5-4-12(18)15-6-7-17-8-10-20-11-9-17/h4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyFOMASMWUAFFHFI-UHFFFAOYSA-N
XLogP0.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (CID 69175229) is tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCCN1CCOCC1.
What is the InChIKey of tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The InChIKey is FOMASMWUAFFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-5-4-12(18)15-6-7-17-8-10-20-11-9-17/h4-11H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 69175229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).