[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate

C14H20N2O4 — CID 81414134

IUPAC[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
SMILESCCNC(=O)C(C)OC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C14H20N2O4/c1-4-16-13(17)9(3)20-14(18)12-10(15)7-6-8-11(12)19-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17)
InChIKeySHXIQJLJDTZKOP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds6

About [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate

[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate (PubChem CID 81414134) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
PubChem CID81414134
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
SMILESCCNC(=O)C(C)OC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C14H20N2O4/c1-4-16-13(17)9(3)20-14(18)12-10(15)7-6-8-11(12)19-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17)
InChIKeySHXIQJLJDTZKOP-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-6-ethoxybenzoate
CID 81396387
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 9417711
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
CID 81413886
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656484
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 8600945
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-propan-2-ylsulfonylethyl 2-amino-6-ethoxybenzoate
CID 106728861

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate?
The IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate (CID 81414134) is [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate.
What is the SMILES notation for [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate?
The canonical SMILES for [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate is CCNC(=O)C(C)OC(=O)c1c(N)cccc1OCC.
What is the InChIKey of [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate?
The InChIKey is SHXIQJLJDTZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16-13(17)9(3)20-14(18)12-10(15)7-6-8-11(12)19-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate?
[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81414134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).