2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide

C16H24N2O2 — CID 155912794

IUPAC2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide
SMILESCC(C)(C)[C@H]1CN(CC(N)=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-10-18(11-15(17)19)9-13(20-14)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H2,17,19)/t13-,14+/m0/s1
InChIKeyVTIPYLZHDWXAHE-UONOGXRCSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide

2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide (PubChem CID 155912794) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide
PubChem CID155912794
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide
SMILESCC(C)(C)[C@H]1CN(CC(N)=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-10-18(11-15(17)19)9-13(20-14)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H2,17,19)/t13-,14+/m0/s1
InChIKeyVTIPYLZHDWXAHE-UONOGXRCSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]butanoate
CID 155918484
methyl 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]pentanoate
CID 155510008
(2S,6R)-4-[2-(benzenesulfonyl)ethyl]-2-tert-butyl-6-phenylmorpholine
CID 155505536
(2S,6R)-2-tert-butyl-4-[(2-methylpyrazol-3-yl)methyl]-6-phenylmorpholine;formic acid
CID 155971770
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine
CID 155506586
3-[2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 155917111
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
(2S,6R)-2-tert-butyl-4-(3-imidazol-1-ylpropyl)-6-phenylmorpholine
CID 155501174
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide?
The IUPAC name of 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide (CID 155912794) is 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide is CC(C)(C)[C@H]1CN(CC(N)=O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide?
The InChIKey is VTIPYLZHDWXAHE-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)14-10-18(11-15(17)19)9-13(20-14)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H2,17,19)/t13-,14+/m0/s1.
What are the key properties of 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide?
2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide is sourced from PubChem (CID 155912794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).