methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate

C18H19NO5 — CID 91163691

IUPACmethyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H19NO5/c1-22-18(21)17(24-15-10-6-3-7-11-15)19-16(20)13-23-12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyUNEGUOXDKZCKLF-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.90
Rot. Bonds8

About methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate

methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate (PubChem CID 91163691) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
PubChem CID91163691
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H19NO5/c1-22-18(21)17(24-15-10-6-3-7-11-15)19-16(20)13-23-12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyUNEGUOXDKZCKLF-UHFFFAOYSA-N
XLogP1.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
2-phenoxy-2-[(2-phenylacetyl)amino]acetamide
CID 54258999
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate
CID 124560393
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
benzyl 2-methyl-3-oxo-4-phenylmethoxybutanoate
CID 11045191

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate?
The IUPAC name of methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate (CID 91163691) is methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate.
What is the SMILES notation for methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate?
The canonical SMILES for methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate is COC(=O)C(NC(=O)COCc1ccccc1)Oc1ccccc1.
What is the InChIKey of methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate?
The InChIKey is UNEGUOXDKZCKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-18(21)17(24-15-10-6-3-7-11-15)19-16(20)13-23-12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20).
What are the key properties of methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate?
methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate has a molecular weight of 329.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate is sourced from PubChem (CID 91163691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).