2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate

C18H19NO4 — CID 101151355

IUPAC2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
SMILESO=C(COc1ccccc1)NCCOC(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(14-23-16-9-5-2-6-10-16)19-11-12-22-18(21)13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyIPCHODHFOYRVLJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.97
Rot. Bonds8

About 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate

2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate (PubChem CID 101151355) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
PubChem CID101151355
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
SMILESO=C(COc1ccccc1)NCCOC(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(14-23-16-9-5-2-6-10-16)19-11-12-22-18(21)13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyIPCHODHFOYRVLJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
2-acetamidoethyl 2-phenylacetate
CID 139889118
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
2-(4-methylphenoxy)ethyl 2-phenylacetate
CID 55319310
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate (CID 101151355) is 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate is O=C(COc1ccccc1)NCCOC(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate?
The InChIKey is IPCHODHFOYRVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(14-23-16-9-5-2-6-10-16)19-11-12-22-18(21)13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20).
What are the key properties of 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate?
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate has a molecular weight of 313.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate is sourced from PubChem (CID 101151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).