N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

C22H26ClN3O3 — CID 30835275

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-16-6-8-17(9-7-16)20(26-10-12-29-13-11-26)15-25-22(28)21(27)24-14-18-4-2-3-5-19(18)23/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyWYOWYIXEZXURGK-HXUWFJFHSA-N
MW415.92 g/mol
LogP2.45
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835275) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835275
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-16-6-8-17(9-7-16)20(26-10-12-29-13-11-26)15-25-22(28)21(27)24-14-18-4-2-3-5-19(18)23/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyWYOWYIXEZXURGK-HXUWFJFHSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217373
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
CID 55900321
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583650

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835275) is N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is WYOWYIXEZXURGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-16-6-8-17(9-7-16)20(26-10-12-29-13-11-26)15-25-22(28)21(27)24-14-18-4-2-3-5-19(18)23/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 415.92 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).