2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate

C23H34N2O8 — CID 174172827

IUPAC2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
SMILESCCOc1ccccc1OCC1CN(C(=O)OCCOC(=O)[C@H](NC(C)=O)C(C)C)CCO1
InChIInChI=1S/C23H34N2O8/c1-5-29-19-8-6-7-9-20(19)33-15-18-14-25(10-11-30-18)23(28)32-13-12-31-22(27)21(16(2)3)24-17(4)26/h6-9,16,18,21H,5,10-15H2,1-4H3,(H,24,26)/t18?,21-/m1/s1
InChIKeyIYCXDBJQKCENOX-BDPMCISCSA-N
MW466.53 g/mol
LogP2.01
Rot. Bonds11

About 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate

2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate (PubChem CID 174172827) has the molecular formula C23H34N2O8 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
PubChem CID174172827
Molecular FormulaC23H34N2O8
Molecular Weight466.53 g/mol
Exact Mass466.23
IUPAC Name2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
SMILESCCOc1ccccc1OCC1CN(C(=O)OCCOC(=O)[C@H](NC(C)=O)C(C)C)CCO1
InChIInChI=1S/C23H34N2O8/c1-5-29-19-8-6-7-9-20(19)33-15-18-14-25(10-11-30-18)23(28)32-13-12-31-22(27)21(16(2)3)24-17(4)26/h6-9,16,18,21H,5,10-15H2,1-4H3,(H,24,26)/t18?,21-/m1/s1
InChIKeyIYCXDBJQKCENOX-BDPMCISCSA-N
XLogP2.01
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-3-methyl-2-(methylamino)butanoyl]oxyethyl (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 170209359
CID 174024033
CID 174024033
[1-(2-amino-3-methylbutanoyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 165162660
[1-(2-aminoacetyl)oxy-2-methylpropyl] 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate;propane
CID 169189237
[2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
CID 165136136
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
(2S)-1-[(2R)-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-chlorophenoxy)propan-1-one
CID 92759978
[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74224503
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?
The IUPAC name of 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate (CID 174172827) is 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate.
What is the SMILES notation for 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?
The canonical SMILES for 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate is CCOc1ccccc1OCC1CN(C(=O)OCCOC(=O)[C@H](NC(C)=O)C(C)C)CCO1.
What is the InChIKey of 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?
The InChIKey is IYCXDBJQKCENOX-BDPMCISCSA-N. The full InChI is InChI=1S/C23H34N2O8/c1-5-29-19-8-6-7-9-20(19)33-15-18-14-25(10-11-30-18)23(28)32-13-12-31-22(27)21(16(2)3)24-17(4)26/h6-9,16,18,21H,5,10-15H2,1-4H3,(H,24,26)/t18?,21-/m1/s1.
What are the key properties of 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?
2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 2.01, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-acetamido-3-methylbutanoyl]oxyethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 174172827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).