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

C14H21NO5 — CID 103179310

IUPAC2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
SMILESCOCCCOCCOC(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H21NO5/c1-17-7-4-8-19-9-10-20-14(16)11-5-3-6-12(18-2)13(11)15/h3,5-6H,4,7-10,15H2,1-2H3
InChIKeyAXRHOASFLOCRRQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.49
Rot. Bonds9

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

2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate (PubChem CID 103179310) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
PubChem CID103179310
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
SMILESCOCCCOCCOC(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H21NO5/c1-17-7-4-8-19-9-10-20-14(16)11-5-3-6-12(18-2)13(11)15/h3,5-6H,4,7-10,15H2,1-2H3
InChIKeyAXRHOASFLOCRRQ-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 2-amino-3-bromobenzoate
CID 103178661
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
3-methoxypropyl 2-aminobenzoate
CID 61278385
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate (CID 103179310) is 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate is COCCCOCCOC(=O)c1cccc(OC)c1N.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate?
The InChIKey is AXRHOASFLOCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-7-4-8-19-9-10-20-14(16)11-5-3-6-12(18-2)13(11)15/h3,5-6H,4,7-10,15H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate?
2-(3-methoxypropoxy)ethyl 2-amino-3-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 2-amino-3-methoxybenzoate is sourced from PubChem (CID 103179310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).