2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate

C14H21NO5 — CID 103179269

IUPAC2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
SMILESCOCCCOCCOC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-6-3-7-19-8-9-20-14(16)12-5-4-11(15)10-13(12)18-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyOESKAVSLAZEYDM-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.49
Rot. Bonds9

About 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate

2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate (PubChem CID 103179269) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
PubChem CID103179269
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
SMILESCOCCCOCCOC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-6-3-7-19-8-9-20-14(16)12-5-4-11(15)10-13(12)18-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyOESKAVSLAZEYDM-UHFFFAOYSA-N
XLogP1.49
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-2-methoxybenzoate
CID 104784112
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate (CID 103179269) is 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate is COCCCOCCOC(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate?
The InChIKey is OESKAVSLAZEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-6-3-7-19-8-9-20-14(16)12-5-4-11(15)10-13(12)18-2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate?
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate has a molecular weight of 283.32 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate is sourced from PubChem (CID 103179269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).