(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one

C16H24N2O2 — CID 104983964

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
SMILESCC1(C)CN(C(=O)[C@@H](N)CCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)12-18(10-11-20-16)15(19)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3/t14-/m0/s1
InChIKeyZZOCJXYNJQHISV-AWEZNQCLSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one (PubChem CID 104983964) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
PubChem CID104983964
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
SMILESCC1(C)CN(C(=O)[C@@H](N)CCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)12-18(10-11-20-16)15(19)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3/t14-/m0/s1
InChIKeyZZOCJXYNJQHISV-AWEZNQCLSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one (CID 104983964) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one is CC1(C)CN(C(=O)[C@@H](N)CCc2ccccc2)CCO1.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one?
The InChIKey is ZZOCJXYNJQHISV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)12-18(10-11-20-16)15(19)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 104983964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).