N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

C22H27N3O4 — CID 27487199

IUPACN'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H27N3O4/c1-16-8-9-19(28-2)18(14-16)24-22(27)21(26)23-10-11-25-12-13-29-20(15-25)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyMEQCHCGDNSDOSL-HXUWFJFHSA-N
MW397.48 g/mol
LogP2.13
Rot. Bonds6

About N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 27487199) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID27487199
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H27N3O4/c1-16-8-9-19(28-2)18(14-16)24-22(27)21(26)23-10-11-25-12-13-29-20(15-25)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyMEQCHCGDNSDOSL-HXUWFJFHSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27443785
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27486360
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557975
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 27487199) is N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is MEQCHCGDNSDOSL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-8-9-19(28-2)18(14-16)24-22(27)21(26)23-10-11-25-12-13-29-20(15-25)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1.
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 397.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 27487199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).