[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

C22H29N3O3 — CID 155509589

IUPAC[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2ncccc2OCCN)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)19-15-25(14-18(28-19)16-8-5-4-6-9-16)21(26)20-17(27-13-11-23)10-7-12-24-20/h4-10,12,18-19H,11,13-15,23H2,1-3H3/t18-,19+/m0/s1
InChIKeyPVVAATCFSVMYFC-RBUKOAKNSA-N
MW383.49 g/mol
LogP3.05
Rot. Bonds5

About [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 155509589) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
PubChem CID155509589
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2ncccc2OCCN)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)19-15-25(14-18(28-19)16-8-5-4-6-9-16)21(26)20-17(27-13-11-23)10-7-12-24-20/h4-10,12,18-19H,11,13-15,23H2,1-3H3/t18-,19+/m0/s1
InChIKeyPVVAATCFSVMYFC-RBUKOAKNSA-N
XLogP3.05
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155506511
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-ethoxy-2-pyridinyl)methanone
CID 120744983
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 134705982
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 134700307
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (CID 155509589) is [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is CC(C)(C)[C@H]1CN(C(=O)c2ncccc2OCCN)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is PVVAATCFSVMYFC-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)19-15-25(14-18(28-19)16-8-5-4-6-9-16)21(26)20-17(27-13-11-23)10-7-12-24-20/h4-10,12,18-19H,11,13-15,23H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 383.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155509589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).