2-ethylbutyl 3-amino-4-ethoxybenzoate

C15H23NO3 — CID 82930597

IUPAC2-ethylbutyl 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(CC)CC)cc1N
InChIInChI=1S/C15H23NO3/c1-4-11(5-2)10-19-15(17)12-7-8-14(18-6-3)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyHKCFUKZHZNGMDV-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.26
Rot. Bonds7

About 2-ethylbutyl 3-amino-4-ethoxybenzoate

2-ethylbutyl 3-amino-4-ethoxybenzoate (PubChem CID 82930597) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethylbutyl 3-amino-4-ethoxybenzoate.

Molecular Properties

Compound Name2-ethylbutyl 3-amino-4-ethoxybenzoate
PubChem CID82930597
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-ethylbutyl 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(CC)CC)cc1N
InChIInChI=1S/C15H23NO3/c1-4-11(5-2)10-19-15(17)12-7-8-14(18-6-3)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyHKCFUKZHZNGMDV-UHFFFAOYSA-N
XLogP3.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867
ethyl 3-amino-4-(2-ethylhexoxy)benzoate
CID 63423326
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
3-cyanopropyl 3-amino-4-ethoxybenzoate
CID 61321472
pentan-2-yl 3-amino-4-ethoxybenzoate
CID 102983098
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
2-ethylbutyl 3,5-diaminobenzoate
CID 82929650
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 3-amino-4-ethoxybenzoate?
The IUPAC name of 2-ethylbutyl 3-amino-4-ethoxybenzoate (CID 82930597) is 2-ethylbutyl 3-amino-4-ethoxybenzoate.
What is the SMILES notation for 2-ethylbutyl 3-amino-4-ethoxybenzoate?
The canonical SMILES for 2-ethylbutyl 3-amino-4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(CC)CC)cc1N.
What is the InChIKey of 2-ethylbutyl 3-amino-4-ethoxybenzoate?
The InChIKey is HKCFUKZHZNGMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-11(5-2)10-19-15(17)12-7-8-14(18-6-3)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-ethylbutyl 3-amino-4-ethoxybenzoate?
2-ethylbutyl 3-amino-4-ethoxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 3-amino-4-ethoxybenzoate is sourced from PubChem (CID 82930597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).