2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate

C15H23NO4 — CID 61484696

IUPAC2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
SMILESCOc1ccc(N)c(C(=O)OCCOCCC(C)C)c1
InChIInChI=1S/C15H23NO4/c1-11(2)6-7-19-8-9-20-15(17)13-10-12(18-3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyLXSMKTQQAGNDND-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.50
Rot. Bonds8

About 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate

2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate (PubChem CID 61484696) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Name2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
PubChem CID61484696
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
SMILESCOc1ccc(N)c(C(=O)OCCOCCC(C)C)c1
InChIInChI=1S/C15H23NO4/c1-11(2)6-7-19-8-9-20-15(17)13-10-12(18-3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyLXSMKTQQAGNDND-UHFFFAOYSA-N
XLogP2.50
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
propyl 2-amino-5-methoxybenzoate
CID 60837149
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
methyl 2-amino-5-methoxybenzoate
CID 13052275
3-methylsulfanylpropyl 2-amino-5-methoxybenzoate
CID 113344029
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
1-(2-amino-5-methoxyphenyl)-4-methoxy-2-methylbutan-1-one
CID 116602601
2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
CID 106450495
[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate
CID 62325038
2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate?
The IUPAC name of 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate (CID 61484696) is 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate.
What is the SMILES notation for 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate?
The canonical SMILES for 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate is COc1ccc(N)c(C(=O)OCCOCCC(C)C)c1.
What is the InChIKey of 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate?
The InChIKey is LXSMKTQQAGNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)6-7-19-8-9-20-15(17)13-10-12(18-3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate?
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate has a molecular weight of 281.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate is sourced from PubChem (CID 61484696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).