methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate

C14H19NO4 — CID 14579440

IUPACmethyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNC(C)=O)cc1
InChIInChI=1S/C14H19NO4/c1-10(8-15-11(2)16)12-4-6-13(7-5-12)19-9-14(17)18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyBVHQGQAGWVRHOW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds6

About methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate

methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate (PubChem CID 14579440) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
PubChem CID14579440
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNC(C)=O)cc1
InChIInChI=1S/C14H19NO4/c1-10(8-15-11(2)16)12-4-6-13(7-5-12)19-9-14(17)18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyBVHQGQAGWVRHOW-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
CID 170831267
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
CID 67936228
methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
CID 67935943
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[1-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propan-2-yl]phenoxy]acetate
CID 70555770
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate (CID 14579440) is methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate is COC(=O)COc1ccc(C(C)CNC(C)=O)cc1.
What is the InChIKey of methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate?
The InChIKey is BVHQGQAGWVRHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(8-15-11(2)16)12-4-6-13(7-5-12)19-9-14(17)18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate?
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate is sourced from PubChem (CID 14579440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).