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

C15H29N3O4 — CID 19753780

IUPACtert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
SMILESCN(CCC(=O)NCCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)7-5-13(19)16-6-8-18-9-11-21-12-10-18/h5-12H2,1-4H3,(H,16,19)
InChIKeyATGXYEBENQSQFL-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.69
Rot. Bonds6

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

tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (PubChem CID 19753780) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
PubChem CID19753780
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
SMILESCN(CCC(=O)NCCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)7-5-13(19)16-6-8-18-9-11-21-12-10-18/h5-12H2,1-4H3,(H,16,19)
InChIKeyATGXYEBENQSQFL-UHFFFAOYSA-N
XLogP0.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (CID 19753780) is tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is CN(CCC(=O)NCCN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
The InChIKey is ATGXYEBENQSQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)7-5-13(19)16-6-8-18-9-11-21-12-10-18/h5-12H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?
tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 19753780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).