methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate

C14H20N2O4 — CID 106954939

IUPACmethyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate
SMILESCCN(CC)C(=O)COc1cc(N)ccc1C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)13(17)9-20-12-8-10(15)6-7-11(12)14(18)19-3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyGPBBKMCSDQEJBB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.30
Rot. Bonds6

About methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate

methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate (PubChem CID 106954939) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate
PubChem CID106954939
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate
SMILESCCN(CC)C(=O)COc1cc(N)ccc1C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)13(17)9-20-12-8-10(15)6-7-11(12)14(18)19-3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyGPBBKMCSDQEJBB-UHFFFAOYSA-N
XLogP1.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
4-amino-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 106954840
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
methyl 4-amino-2-(3-hydroxy-2-methylpropoxy)benzoate
CID 106955001
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
methyl 4-amino-2-(3-amino-2-methyl-3-oxopropoxy)benzoate
CID 106954975
methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate (CID 106954939) is methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate is CCN(CC)C(=O)COc1cc(N)ccc1C(=O)OC.
What is the InChIKey of methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate?
The InChIKey is GPBBKMCSDQEJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(5-2)13(17)9-20-12-8-10(15)6-7-11(12)14(18)19-3/h6-8H,4-5,9,15H2,1-3H3.
What are the key properties of methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate?
methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate has a molecular weight of 280.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 106954939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).