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

C18H25N3O6 — CID 57067194

IUPAC[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
SMILESCN(CCC(=O)NN1CCOCC1)C(=O)OOC(=O)CCc1ccccc1
InChIInChI=1S/C18H25N3O6/c1-20(10-9-16(22)19-21-11-13-25-14-12-21)18(24)27-26-17(23)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,22)
InChIKeyXQSTZONHCAEQKS-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.90
Rot. Bonds7

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

[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate (PubChem CID 57067194) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate.

Molecular Properties

Compound Name[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
PubChem CID57067194
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
SMILESCN(CCC(=O)NN1CCOCC1)C(=O)OOC(=O)CCc1ccccc1
InChIInChI=1S/C18H25N3O6/c1-20(10-9-16(22)19-21-11-13-25-14-12-21)18(24)27-26-17(23)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,22)
InChIKeyXQSTZONHCAEQKS-UHFFFAOYSA-N
XLogP0.90
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
CID 57083909
3-[methyl(3-phenylpropanoylperoxycarbonyl)amino]propanoic acid
CID 57097020
[methyl-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 57072344
3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
CID 83013202
[methyl-[3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
CID 23166538
benzyl N-morpholin-4-ylcarbamate
CID 54530052
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
[methyl-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 56985373
1-benzyl-3-morpholin-4-ylurea
CID 107653208
propan-2-yl 3-phenylpropaneperoxoate
CID 150450649
methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
CID 55513242

Frequently Asked Questions

What is the IUPAC name of [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate?
The IUPAC name of [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate (CID 57067194) is [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate.
What is the SMILES notation for [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate?
The canonical SMILES for [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate is CN(CCC(=O)NN1CCOCC1)C(=O)OOC(=O)CCc1ccccc1.
What is the InChIKey of [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate?
The InChIKey is XQSTZONHCAEQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-20(10-9-16(22)19-21-11-13-25-14-12-21)18(24)27-26-17(23)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,22).
What are the key properties of [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate?
[methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate has a molecular weight of 379.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[3-(morpholin-4-ylamino)-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate is sourced from PubChem (CID 57067194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).