(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C16H22N2O3 — CID 98768943

IUPAC(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)15-14(12-8-6-5-7-9-12)18(3)13(19)10-21-15/h5-9,11,14-15H,4,10H2,1-3H3,(H,17,20)/t11-,14+,15-/m0/s1
InChIKeyWAVKAXPLDQSZCS-GLQYFDAESA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds4

About (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 98768943) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID98768943
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)15-14(12-8-6-5-7-9-12)18(3)13(19)10-21-15/h5-9,11,14-15H,4,10H2,1-3H3,(H,17,20)/t11-,14+,15-/m0/s1
InChIKeyWAVKAXPLDQSZCS-GLQYFDAESA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
(2R,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635963
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
[2-(Benzylamino)-2-oxoethyl] 3-phenylpropanoate
CID 7654679
Methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate
CID 3626884
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
CID 24980945
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate
CID 3603162
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
(2S,3R)-3-amino-3-cyclooctyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44381981
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 98768943) is (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CC[C@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is WAVKAXPLDQSZCS-GLQYFDAESA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)15-14(12-8-6-5-7-9-12)18(3)13(19)10-21-15/h5-9,11,14-15H,4,10H2,1-3H3,(H,17,20)/t11-,14+,15-/m0/s1.
What are the key properties of (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 98768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).