ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate

C18H28N2O5 — CID 47526880

IUPACethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C18H28N2O5/c1-5-24-18(23)11-20(13(2)3)10-16(22)12-25-17-8-6-15(7-9-17)19-14(4)21/h6-9,13,16,22H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyDSPYBKDTHZDUOV-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.66
Rot. Bonds10

About ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate

ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate (PubChem CID 47526880) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
PubChem CID47526880
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nameethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C18H28N2O5/c1-5-24-18(23)11-20(13(2)3)10-16(22)12-25-17-8-6-15(7-9-17)19-14(4)21/h6-9,13,16,22H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyDSPYBKDTHZDUOV-UHFFFAOYSA-N
XLogP1.66
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
CID 111108348
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
CID 61021199
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
CID 110882260
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate (CID 47526880) is ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate is CCOC(=O)CN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C.
What is the InChIKey of ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate?
The InChIKey is DSPYBKDTHZDUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-5-24-18(23)11-20(13(2)3)10-16(22)12-25-17-8-6-15(7-9-17)19-14(4)21/h6-9,13,16,22H,5,10-12H2,1-4H3,(H,19,21).
What are the key properties of ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate?
ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate has a molecular weight of 352.43 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 47526880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).