methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate

C23H28N2O6 — CID 7897076

IUPACmethyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
SMILESCOC(=O)[C@@H](CCCCNC(=O)COc1ccccc1)NC(=O)COc1ccccc1
InChIInChI=1S/C23H28N2O6/c1-29-23(28)20(25-22(27)17-31-19-12-6-3-7-13-19)14-8-9-15-24-21(26)16-30-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyKKEQXMISLIUQMZ-HXUWFJFHSA-N
MW428.49 g/mol
LogP2.09
Rot. Bonds13

About methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate

methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate (PubChem CID 7897076) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
PubChem CID7897076
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Namemethyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
SMILESCOC(=O)[C@@H](CCCCNC(=O)COc1ccccc1)NC(=O)COc1ccccc1
InChIInChI=1S/C23H28N2O6/c1-29-23(28)20(25-22(27)17-31-19-12-6-3-7-13-19)14-8-9-15-24-21(26)16-30-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyKKEQXMISLIUQMZ-HXUWFJFHSA-N
XLogP2.09
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603
methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
CID 9277684
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
methyl 2-bromo-3-[(2-phenoxyacetyl)amino]propanoate
CID 103492482

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate?
The IUPAC name of methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate (CID 7897076) is methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate.
What is the SMILES notation for methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate?
The canonical SMILES for methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate is COC(=O)[C@@H](CCCCNC(=O)COc1ccccc1)NC(=O)COc1ccccc1.
What is the InChIKey of methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate?
The InChIKey is KKEQXMISLIUQMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-29-23(28)20(25-22(27)17-31-19-12-6-3-7-13-19)14-8-9-15-24-21(26)16-30-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,26)(H,25,27)/t20-/m1/s1.
What are the key properties of methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate?
methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate has a molecular weight of 428.49 g/mol, XLogP of 2.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate is sourced from PubChem (CID 7897076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).