(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C22H26N2O4 — CID 134707540

IUPAC(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O4/c1-15-7-5-6-8-18(15)20-21(28-14-19(25)24(20)3)22(26)23(2)13-16-9-11-17(27-4)12-10-16/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
InChIKeyPMLBYNZEXWJCRK-RTWAWAEBSA-N
MW382.46 g/mol
LogP2.56
Rot. Bonds5

About (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134707540) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134707540
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O4/c1-15-7-5-6-8-18(15)20-21(28-14-19(25)24(20)3)22(26)23(2)13-16-9-11-17(27-4)12-10-16/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
InChIKeyPMLBYNZEXWJCRK-RTWAWAEBSA-N
XLogP2.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-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-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134707540) is (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is COc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1.
What is the InChIKey of (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is PMLBYNZEXWJCRK-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-7-5-6-8-18(15)20-21(28-14-19(25)24(20)3)22(26)23(2)13-16-9-11-17(27-4)12-10-16/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134707540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).