(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C19H28N2O4 — CID 134701701

IUPAC(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCC(CC)(CO)CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-4-19(5-2,13-22)12-21(3)18(24)17-16(20-15(23)11-25-17)14-9-7-6-8-10-14/h6-10,16-17,22H,4-5,11-13H2,1-3H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHGNZIZPGUNJFCX-SJORKVTESA-N
MW348.44 g/mol
LogP1.50
Rot. Bonds7

About (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134701701) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134701701
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCC(CC)(CO)CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-4-19(5-2,13-22)12-21(3)18(24)17-16(20-15(23)11-25-17)14-9-7-6-8-10-14/h6-10,16-17,22H,4-5,11-13H2,1-3H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHGNZIZPGUNJFCX-SJORKVTESA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134701701) is (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCC(CC)(CO)CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is HGNZIZPGUNJFCX-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-19(5-2,13-22)12-21(3)18(24)17-16(20-15(23)11-25-17)14-9-7-6-8-10-14/h6-10,16-17,22H,4-5,11-13H2,1-3H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).