ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate

C15H21NO4 — CID 91205348

IUPACethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C(C)N=O)cc1C
InChIInChI=1S/C15H21NO4/c1-6-19-14(17)15(4,5)20-13-8-7-12(9-10(13)2)11(3)16-18/h7-9,11H,6H2,1-5H3
InChIKeyRVIKCTCJNJUZME-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.54
Rot. Bonds6

About ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate

ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate (PubChem CID 91205348) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate
PubChem CID91205348
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C(C)N=O)cc1C
InChIInChI=1S/C15H21NO4/c1-6-19-14(17)15(4,5)20-13-8-7-12(9-10(13)2)11(3)16-18/h7-9,11H,6H2,1-5H3
InChIKeyRVIKCTCJNJUZME-UHFFFAOYSA-N
XLogP3.54
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(1-aminoethyl)-2-methylphenoxy]-2-methylpropanoate
CID 20766027
ethyl 2-methyl-2-[2-methyl-4-(1-oxopropan-2-yl)phenoxy]propanoate
CID 87793687
ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
CID 71192492
ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate
CID 69346234
ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3-methylphenyl]propanoic acid
CID 69346277
ethyl 2-[4-[3-(1-aminoethyl)-5-fluorophenoxy]-2-methylphenoxy]-2-methylpropanoate
CID 58853654
ethyl 2-[4-[[3-(3-chloro-4-methylphenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoate
CID 21018923
ethyl 2-[4-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-thiadiazol-5-yl]ethylsulfanyl]-2-methylphenoxy]-2-methylpropanoate
CID 71012933
ethyl 2-methyl-2-[2-methyl-4-[[4-(4-methylphenyl)phenyl]methylselanyl]phenoxy]propanoate;methane
CID 162172537
ethyl 2-methyl-2-[2-methyl-4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]phenoxy]propanoate
CID 58853697
ethyl 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
CID 23563104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate (CID 91205348) is ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(C(C)N=O)cc1C.
What is the InChIKey of ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate?
The InChIKey is RVIKCTCJNJUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-19-14(17)15(4,5)20-13-8-7-12(9-10(13)2)11(3)16-18/h7-9,11H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate?
ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate has a molecular weight of 279.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate is sourced from PubChem (CID 91205348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).