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

C22H26N2O3 — CID 134701506

IUPAC(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H26N2O3/c1-15-9-5-7-11-17(15)13-23(3)22(26)21-20(24(4)19(25)14-27-21)18-12-8-6-10-16(18)2/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
InChIKeyOGDIDNBAKLRWSJ-RTWAWAEBSA-N
MW366.46 g/mol
LogP2.86
Rot. Bonds4

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

(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide (PubChem CID 134701506) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
PubChem CID134701506
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H26N2O3/c1-15-9-5-7-11-17(15)13-23(3)22(26)21-20(24(4)19(25)14-27-21)18-12-8-6-10-16(18)2/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
InChIKeyOGDIDNBAKLRWSJ-RTWAWAEBSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-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

Related Compounds

(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134711395
(2S,3R)-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134707540
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134698510
(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134698034
(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701148
(2S,3R)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 156586890
(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134701120
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281032
(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
CID 134714584
acetic acid;(5R,6S)-6-(4-aminopiperidine-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 154913234
methyl (1S,5R)-3-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 162633244

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide (CID 134701506) is (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide is Cc1ccccc1CN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C.
What is the InChIKey of (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is OGDIDNBAKLRWSJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-9-5-7-11-17(15)13-23(3)22(26)21-20(24(4)19(25)14-27-21)18-12-8-6-10-16(18)2/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134701506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).