methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate

C17H17NO4 — CID 891990

IUPACmethyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-21-17(20)12-22-15-9-5-8-14(11-15)18-16(19)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3,(H,18,19)
InChIKeyCWFOJKRDMDAJDW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.42
Rot. Bonds6

About methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate

methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate (PubChem CID 891990) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
PubChem CID891990
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-21-17(20)12-22-15-9-5-8-14(11-15)18-16(19)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3,(H,18,19)
InChIKeyCWFOJKRDMDAJDW-UHFFFAOYSA-N
XLogP2.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
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methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
CID 166393940
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
methyl 2-[3-(pent-4-ynoylamino)phenoxy]acetate
CID 114028678
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
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methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate (CID 891990) is methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate?
The InChIKey is CWFOJKRDMDAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-17(20)12-22-15-9-5-8-14(11-15)18-16(19)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3,(H,18,19).
What are the key properties of methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate?
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate has a molecular weight of 299.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate is sourced from PubChem (CID 891990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).