[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate

C14H20N2O4 — CID 61322293

IUPAC[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCOCCNC(=O)C(C)OC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H20N2O4/c1-9-4-5-11(15)8-12(9)14(18)20-10(2)13(17)16-6-7-19-3/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyODHFPWQITHOHGX-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.89
Rot. Bonds6

About [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (PubChem CID 61322293) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
PubChem CID61322293
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCOCCNC(=O)C(C)OC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H20N2O4/c1-9-4-5-11(15)8-12(9)14(18)20-10(2)13(17)16-6-7-19-3/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyODHFPWQITHOHGX-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
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

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-fluorobenzoate
CID 61315810
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,5-diaminobenzoate
CID 61322933
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321068
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
[1-oxo-1-(propylamino)propan-2-yl] 5-amino-2-(dimethylamino)benzoate
CID 61320669
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975813
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-2-chlorobenzoate
CID 61239178
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569640

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (CID 61322293) is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.
What is the SMILES notation for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The canonical SMILES for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate is COCCNC(=O)C(C)OC(=O)c1cc(N)ccc1C.
What is the InChIKey of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The InChIKey is ODHFPWQITHOHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-4-5-11(15)8-12(9)14(18)20-10(2)13(17)16-6-7-19-3/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate has a molecular weight of 280.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate is sourced from PubChem (CID 61322293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).