(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide

C19H27N3O4 — CID 134713077

IUPAC(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c1-19(2,22-8-10-25-11-9-22)13-20-18(24)17-16(21-15(23)12-26-17)14-6-4-3-5-7-14/h3-7,16-17H,8-13H2,1-2H3,(H,20,24)(H,21,23)/t16-,17+/m1/s1
InChIKeyOOAUIJMGGZAYLJ-SJORKVTESA-N
MW361.44 g/mol
LogP0.47
Rot. Bonds5

About (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134713077) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134713077
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c1-19(2,22-8-10-25-11-9-22)13-20-18(24)17-16(21-15(23)12-26-17)14-6-4-3-5-7-14/h3-7,16-17H,8-13H2,1-2H3,(H,20,24)(H,21,23)/t16-,17+/m1/s1
InChIKeyOOAUIJMGGZAYLJ-SJORKVTESA-N
XLogP0.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134713077) is (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is CC(C)(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is OOAUIJMGGZAYLJ-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,22-8-10-25-11-9-22)13-20-18(24)17-16(21-15(23)12-26-17)14-6-4-3-5-7-14/h3-7,16-17H,8-13H2,1-2H3,(H,20,24)(H,21,23)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134713077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).