(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate

C14H19NO6 — CID 115626344

IUPAC(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
SMILESCCOC(=O)C(C)OC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H19NO6/c1-5-20-13(16)8(2)21-14(17)10-6-9(18-3)7-11(19-4)12(10)15/h6-8H,5,15H2,1-4H3
InChIKeyLYBNBMCWLCMEAP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.39
Rot. Bonds6

About (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate

(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate (PubChem CID 115626344) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
PubChem CID115626344
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
SMILESCCOC(=O)C(C)OC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H19NO6/c1-5-20-13(16)8(2)21-14(17)10-6-9(18-3)7-11(19-4)12(10)15/h6-8H,5,15H2,1-4H3
InChIKeyLYBNBMCWLCMEAP-UHFFFAOYSA-N
XLogP1.39
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-1-oxobutan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115605847
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
CID 115604510

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate (CID 115626344) is (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate is CCOC(=O)C(C)OC(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate?
The InChIKey is LYBNBMCWLCMEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-5-20-13(16)8(2)21-14(17)10-6-9(18-3)7-11(19-4)12(10)15/h6-8H,5,15H2,1-4H3.
What are the key properties of (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate?
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate has a molecular weight of 297.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate is sourced from PubChem (CID 115626344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).