ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate

C15H21NO6 — CID 170831267

IUPACethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(O)C(O)CNC(C)=O)cc1
InChIInChI=1S/C15H21NO6/c1-3-21-14(19)9-22-12-6-4-11(5-7-12)15(20)13(18)8-16-10(2)17/h4-7,13,15,18,20H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyCPJIIAIKCGKHOH-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.16
Rot. Bonds8

About ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate

ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate (PubChem CID 170831267) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
PubChem CID170831267
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Nameethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(O)C(O)CNC(C)=O)cc1
InChIInChI=1S/C15H21NO6/c1-3-21-14(19)9-22-12-6-4-11(5-7-12)15(20)13(18)8-16-10(2)17/h4-7,13,15,18,20H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyCPJIIAIKCGKHOH-UHFFFAOYSA-N
XLogP0.16
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetate
CID 170830919
ethyl 2-[4-(1,2-dihydroxy-3-sulfanylpropyl)phenoxy]acetate
CID 170821085
N-[2,3-dihydroxy-3-(4-octoxyphenyl)propyl]acetamide
CID 170831241
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
CID 14579440
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
ethyl 4-[4-(4-acetamido-1,2-dihydroxybutyl)phenyl]-4-oxobutanoate
CID 171884080
ethyl 2-[4-[4-amino-1-[4-(2-ethoxy-2-oxoethoxy)phenyl]butyl]phenoxy]acetate
CID 173354706
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate (CID 170831267) is ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate is CCOC(=O)COc1ccc(C(O)C(O)CNC(C)=O)cc1.
What is the InChIKey of ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate?
The InChIKey is CPJIIAIKCGKHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6/c1-3-21-14(19)9-22-12-6-4-11(5-7-12)15(20)13(18)8-16-10(2)17/h4-7,13,15,18,20H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate?
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate has a molecular weight of 311.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate is sourced from PubChem (CID 170831267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).