1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate

C13H19NO4 — CID 103489037

IUPAC1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
SMILESCCOCC(C)OC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H19NO4/c1-4-17-8-9(2)18-13(15)10-5-6-12(16-3)11(14)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyVIFUCRFBTWYNCP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.86
Rot. Bonds6

About 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate

1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate (PubChem CID 103489037) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
PubChem CID103489037
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
SMILESCCOCC(C)OC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H19NO4/c1-4-17-8-9(2)18-13(15)10-5-6-12(16-3)11(14)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyVIFUCRFBTWYNCP-UHFFFAOYSA-N
XLogP1.86
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.86
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

1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
pentan-2-yl 3-amino-4-ethoxybenzoate
CID 102983098
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methoxybenzoate
CID 61322426
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
1-ethoxypropan-2-yl 2,4-diaminobenzoate
CID 103489471
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-ethoxypropan-2-yl 2-amino-4-bromobenzoate
CID 103488997
1-ethoxypropan-2-yl 2-amino-5-bromobenzoate
CID 103489075
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate?
The IUPAC name of 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate (CID 103489037) is 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate?
The canonical SMILES for 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate is CCOCC(C)OC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate?
The InChIKey is VIFUCRFBTWYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-17-8-9(2)18-13(15)10-5-6-12(16-3)11(14)7-10/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate?
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate has a molecular weight of 253.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate is sourced from PubChem (CID 103489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).