(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone

C22H28N2O4 — CID 39973215

IUPAC(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1ccc(CN(C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-23(16-17-9-10-19(26-2)20(15-17)27-3)21(18-7-5-4-6-8-18)22(25)24-11-13-28-14-12-24/h4-10,15,21H,11-14,16H2,1-3H3/t21-/m1/s1
InChIKeyDHOOUXSOYFKOEV-OAQYLSRUSA-N
MW384.48 g/mol
LogP2.74
Rot. Bonds7

About (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone

(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 39973215) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
PubChem CID39973215
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1ccc(CN(C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-23(16-17-9-10-19(26-2)20(15-17)27-3)21(18-7-5-4-6-8-18)22(25)24-11-13-28-14-12-24/h4-10,15,21H,11-14,16H2,1-3H3/t21-/m1/s1
InChIKeyDHOOUXSOYFKOEV-OAQYLSRUSA-N
XLogP2.74
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone with MolForge

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 42895204
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 40855767
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133161733
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (CID 39973215) is (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is COc1ccc(CN(C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is DHOOUXSOYFKOEV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-23(16-17-9-10-19(26-2)20(15-17)27-3)21(18-7-5-4-6-8-18)22(25)24-11-13-28-14-12-24/h4-10,15,21H,11-14,16H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 384.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 39973215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).