2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate

C15H23NO3 — CID 106448186

IUPAC2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCCOCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)11-18-8-9-19-15(17)10-16-14-6-4-13(3)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyFTJXFZGCBVJFHI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.62
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate

2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate (PubChem CID 106448186) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate
PubChem CID106448186
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCCOCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)11-18-8-9-19-15(17)10-16-14-6-4-13(3)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyFTJXFZGCBVJFHI-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
2-propoxyethyl 2-(4-methylanilino)acetate
CID 63685417
pentyl 2-(4-methylanilino)acetate
CID 61303910
2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
CID 106448275
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
2-(2-methylpropoxy)ethyl 3-amino-3-methylbutanoate
CID 106448152
2-(2-methylpropoxy)ethyl 3,5-dimethylbenzoate
CID 140608661

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate (CID 106448186) is 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate is Cc1ccc(NCC(=O)OCCOCC(C)C)cc1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate?
The InChIKey is FTJXFZGCBVJFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)11-18-8-9-19-15(17)10-16-14-6-4-13(3)5-7-14/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate?
2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate is sourced from PubChem (CID 106448186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).