propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate

C14H19NO4 — CID 64695545

IUPACpropan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate
SMILESCCOC(=O)Cc1cccc(N)c1C(=O)OC(C)C
InChIInChI=1S/C14H19NO4/c1-4-18-12(16)8-10-6-5-7-11(15)13(10)14(17)19-9(2)3/h5-7,9H,4,8,15H2,1-3H3
InChIKeyXTNKHQIHIDMEQD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds5

About propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate

propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate (PubChem CID 64695545) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate
PubChem CID64695545
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namepropan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate
SMILESCCOC(=O)Cc1cccc(N)c1C(=O)OC(C)C
InChIInChI=1S/C14H19NO4/c1-4-18-12(16)8-10-6-5-7-11(15)13(10)14(17)19-9(2)3/h5-7,9H,4,8,15H2,1-3H3
InChIKeyXTNKHQIHIDMEQD-UHFFFAOYSA-N
XLogP1.94
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate?
The IUPAC name of propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate (CID 64695545) is propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate.
What is the SMILES notation for propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate?
The canonical SMILES for propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate is CCOC(=O)Cc1cccc(N)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate?
The InChIKey is XTNKHQIHIDMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-12(16)8-10-6-5-7-11(15)13(10)14(17)19-9(2)3/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate?
propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate is sourced from PubChem (CID 64695545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).