N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide

C22H25N3O5 — CID 27557975

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O5/c26-21(22(27)24-17-6-7-18-19(14-17)30-13-12-29-18)23-8-9-25-10-11-28-20(15-25)16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyRGPALYCNCSSDSP-FQEVSTJZSA-N
MW411.46 g/mol
LogP1.59
Rot. Bonds5

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 27557975) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID27557975
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O5/c26-21(22(27)24-17-6-7-18-19(14-17)30-13-12-29-18)23-8-9-25-10-11-28-20(15-25)16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyRGPALYCNCSSDSP-FQEVSTJZSA-N
XLogP1.59
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 125155199
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27486360
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 27557975) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is RGPALYCNCSSDSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-21(22(27)24-17-6-7-18-19(14-17)30-13-12-29-18)23-8-9-25-10-11-28-20(15-25)16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 411.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 27557975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).