(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C22H24N2O3 — CID 163336226

IUPAC(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-23(14-16-8-4-2-5-9-16)22(26)21-20(17-10-6-3-7-11-17)24(18-12-13-18)19(25)15-27-21/h2-11,18,20-21H,12-15H2,1H3/t20-,21+/m0/s1
InChIKeySWXIJRRQEGHULG-LEWJYISDSA-N
MW364.45 g/mol
LogP2.78
Rot. Bonds5

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

(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 163336226) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID163336226
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-23(14-16-8-4-2-5-9-16)22(26)21-20(17-10-6-3-7-11-17)24(18-12-13-18)19(25)15-27-21/h2-11,18,20-21H,12-15H2,1H3/t20-,21+/m0/s1
InChIKeySWXIJRRQEGHULG-LEWJYISDSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 163336226) is (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is SWXIJRRQEGHULG-LEWJYISDSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23(14-16-8-4-2-5-9-16)22(26)21-20(17-10-6-3-7-11-17)24(18-12-13-18)19(25)15-27-21/h2-11,18,20-21H,12-15H2,1H3/t20-,21+/m0/s1.
What are the key properties of (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 163336226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).