3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate

C15H23NO4 — CID 103403066

IUPAC3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
SMILESCOCCOCCCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C15H23NO4/c1-11-9-12(2)14(16)13(10-11)15(17)20-6-4-5-19-8-7-18-3/h9-10H,4-8,16H2,1-3H3
InChIKeyPIPQGQKBYXRWGA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.10
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate

3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate (PubChem CID 103403066) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
PubChem CID103403066
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
SMILESCOCCOCCCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C15H23NO4/c1-11-9-12(2)14(16)13(10-11)15(17)20-6-4-5-19-8-7-18-3/h9-10H,4-8,16H2,1-3H3
InChIKeyPIPQGQKBYXRWGA-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-(3-methoxypropoxy)ethyl 2-amino-3-bromobenzoate
CID 103178661
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
cyclobutyl 2-amino-3,5-dimethylbenzoate
CID 63112719

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate (CID 103403066) is 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate is COCCOCCCOC(=O)c1cc(C)cc(C)c1N.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate?
The InChIKey is PIPQGQKBYXRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-9-12(2)14(16)13(10-11)15(17)20-6-4-5-19-8-7-18-3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate?
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate has a molecular weight of 281.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate is sourced from PubChem (CID 103403066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).