[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane

C23H38N2O7 — CID 169189237

IUPAC[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane
SMILESCCC.CCOc1ccccc1OCC1CN(C(=O)OC(OC(=O)CN)C(C)C)CCO1
InChIInChI=1S/C20H30N2O7.C3H8/c1-4-25-16-7-5-6-8-17(16)27-13-15-12-22(9-10-26-15)20(24)29-19(14(2)3)28-18(23)11-21;1-3-2/h5-8,14-15,19H,4,9-13,21H2,1-3H3;3H2,1-2H3
InChIKeySASAPNQYOPRAFR-UHFFFAOYSA-N
MW454.56 g/mol
LogP3.20
Rot. Bonds9

About [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane

[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane (PubChem CID 169189237) has the molecular formula C23H38N2O7 and a molecular weight of 454.56 g/mol. Its IUPAC name is [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane.

Molecular Properties

Compound Name[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane
PubChem CID169189237
Molecular FormulaC23H38N2O7
Molecular Weight454.56 g/mol
Exact Mass454.27
IUPAC Name[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane
SMILESCCC.CCOc1ccccc1OCC1CN(C(=O)OC(OC(=O)CN)C(C)C)CCO1
InChIInChI=1S/C20H30N2O7.C3H8/c1-4-25-16-7-5-6-8-17(16)27-13-15-12-22(9-10-26-15)20(24)29-19(14(2)3)28-18(23)11-21;1-3-2/h5-8,14-15,19H,4,9-13,21H2,1-3H3;3H2,1-2H3
InChIKeySASAPNQYOPRAFR-UHFFFAOYSA-N
XLogP3.20
TPSA109.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-3-methylbutanoyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 165162660
1-[(2S)-3-methyl-2-(methylamino)butanoyl]oxyethyl (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 170209359
CID 174024033
CID 174024033
2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 174172827
[2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 165136136
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane?
The IUPAC name of [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane (CID 169189237) is [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane.
What is the SMILES notation for [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane?
The canonical SMILES for [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane is CCC.CCOc1ccccc1OCC1CN(C(=O)OC(OC(=O)CN)C(C)C)CCO1.
What is the InChIKey of [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane?
The InChIKey is SASAPNQYOPRAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O7.C3H8/c1-4-25-16-7-5-6-8-17(16)27-13-15-12-22(9-10-26-15)20(24)29-19(14(2)3)28-18(23)11-21;1-3-2/h5-8,14-15,19H,4,9-13,21H2,1-3H3;3H2,1-2H3.
What are the key properties of [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane?
[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane has a molecular weight of 454.56 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane is sourced from PubChem (CID 169189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).