ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate

C22H27NO5 — CID 110176875

IUPACethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CCNCCOCc2ccccc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-27-22(25)17-28-20-10-8-19(9-11-20)21(24)12-13-23-14-15-26-16-18-6-4-3-5-7-18/h3-11,23H,2,12-17H2,1H3
InChIKeyHESDUYUCCUFDCU-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.01
Rot. Bonds13

About ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate

ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate (PubChem CID 110176875) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate
PubChem CID110176875
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Nameethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CCNCCOCc2ccccc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-27-22(25)17-28-20-10-8-19(9-11-20)21(24)12-13-23-14-15-26-16-18-6-4-3-5-7-18/h3-11,23H,2,12-17H2,1H3
InChIKeyHESDUYUCCUFDCU-UHFFFAOYSA-N
XLogP3.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
CID 22340613
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
(2S)-2-ethoxy-3-[4-(2-oxo-2-phenylmethoxyethoxy)phenyl]pentanoic acid
CID 68854069
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate (CID 110176875) is ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CCNCCOCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate?
The InChIKey is HESDUYUCCUFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-2-27-22(25)17-28-20-10-8-19(9-11-20)21(24)12-13-23-14-15-26-16-18-6-4-3-5-7-18/h3-11,23H,2,12-17H2,1H3.
What are the key properties of ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate?
ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate has a molecular weight of 385.46 g/mol, XLogP of 3.01, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate is sourced from PubChem (CID 110176875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).