2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate

C23H21NO5 — CID 7833308

IUPAC2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCOc1ccccc1
InChIInChI=1S/C23H21NO5/c25-22(28-16-15-27-19-7-3-1-4-8-19)17-24-23(26)18-11-13-21(14-12-18)29-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,26)
InChIKeyHLFDWHDTRBFWTL-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.83
Rot. Bonds9

About 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate

2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 7833308) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID7833308
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCOc1ccccc1
InChIInChI=1S/C23H21NO5/c25-22(28-16-15-27-19-7-3-1-4-8-19)17-24-23(26)18-11-13-21(14-12-18)29-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,26)
InChIKeyHLFDWHDTRBFWTL-UHFFFAOYSA-N
XLogP3.83
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate (CID 7833308) is 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is HLFDWHDTRBFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c25-22(28-16-15-27-19-7-3-1-4-8-19)17-24-23(26)18-11-13-21(14-12-18)29-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,26).
What are the key properties of 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate?
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 391.42 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 7833308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).