ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

C18H25NO7 — CID 67246942

IUPACethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1C
InChIInChI=1S/C18H25NO7/c1-6-24-15(21)10-25-14-8-7-12(16(22)11(14)2)13(20)9-19-17(23)26-18(3,4)5/h7-8,22H,6,9-10H2,1-5H3,(H,19,23)
InChIKeyOSDBDOYBKALVTB-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (PubChem CID 67246942) has the molecular formula C18H25NO7 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
PubChem CID67246942
Molecular FormulaC18H25NO7
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC Nameethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1C
InChIInChI=1S/C18H25NO7/c1-6-24-15(21)10-25-14-8-7-12(16(22)11(14)2)13(20)9-19-17(23)26-18(3,4)5/h7-8,22H,6,9-10H2,1-5H3,(H,19,23)
InChIKeyOSDBDOYBKALVTB-UHFFFAOYSA-N
XLogP2.35
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67247207
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-3-hydroxyphenoxy]acetate
CID 67247334
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl 2-[4-(2-ethoxy-2-oxoethoxy)-3-fluoroanilino]acetate
CID 69220601
2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67248288
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
ethyl 2-[4-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetate
CID 54020369
ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 70437866
2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetic acid
CID 21287011
ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
CID 87219615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (CID 67246942) is ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1C.
What is the InChIKey of ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The InChIKey is OSDBDOYBKALVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO7/c1-6-24-15(21)10-25-14-8-7-12(16(22)11(14)2)13(20)9-19-17(23)26-18(3,4)5/h7-8,22H,6,9-10H2,1-5H3,(H,19,23).
What are the key properties of ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate has a molecular weight of 367.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is sourced from PubChem (CID 67246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).