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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).