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

C23H28N2O3 — CID 134703136

IUPAC(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-3-4-14-25(15-19-13-9-8-10-17(19)2)23(27)22-21(24-20(26)16-28-22)18-11-6-5-7-12-18/h5-13,21-22H,3-4,14-16H2,1-2H3,(H,24,26)/t21-,22+/m1/s1
InChIKeyBYAKKNOQZSAXAF-YADHBBJMSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds7

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

(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134703136) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134703136
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-3-4-14-25(15-19-13-9-8-10-17(19)2)23(27)22-21(24-20(26)16-28-22)18-11-6-5-7-12-18/h5-13,21-22H,3-4,14-16H2,1-2H3,(H,24,26)/t21-,22+/m1/s1
InChIKeyBYAKKNOQZSAXAF-YADHBBJMSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134703136) is (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is CCCCN(Cc1ccccc1C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is BYAKKNOQZSAXAF-YADHBBJMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-14-25(15-19-13-9-8-10-17(19)2)23(27)22-21(24-20(26)16-28-22)18-11-6-5-7-12-18/h5-13,21-22H,3-4,14-16H2,1-2H3,(H,24,26)/t21-,22+/m1/s1.
What are the key properties of (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134703136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).