[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate

C18H24N2O6 — CID 57083909

IUPAC[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
SMILESCN(CCC(=O)N1CCOCC1)C(=O)OOC(=O)CCc1ccccc1
InChIInChI=1S/C18H24N2O6/c1-19(10-9-16(21)20-11-13-24-14-12-20)18(23)26-25-17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyVXFLIPKXQCXKLX-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.39
Rot. Bonds6

About [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate

[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate (PubChem CID 57083909) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate.

Molecular Properties

Compound Name[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
PubChem CID57083909
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
SMILESCN(CCC(=O)N1CCOCC1)C(=O)OOC(=O)CCc1ccccc1
InChIInChI=1S/C18H24N2O6/c1-19(10-9-16(21)20-11-13-24-14-12-20)18(23)26-25-17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyVXFLIPKXQCXKLX-UHFFFAOYSA-N
XLogP1.39
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
CID 57067194
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-[methyl(3-phenylpropanoylperoxycarbonyl)amino]propanoic acid
CID 57097020
(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 22858674
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
[methyl-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 57072344
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
CID 19753755
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078

Frequently Asked Questions

What is the IUPAC name of [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate?
The IUPAC name of [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate (CID 57083909) is [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate.
What is the SMILES notation for [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate?
The canonical SMILES for [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate is CN(CCC(=O)N1CCOCC1)C(=O)OOC(=O)CCc1ccccc1.
What is the InChIKey of [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate?
The InChIKey is VXFLIPKXQCXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-19(10-9-16(21)20-11-13-24-14-12-20)18(23)26-25-17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate?
[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate has a molecular weight of 364.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate is sourced from PubChem (CID 57083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).