methyl 4-acetamido-2-ethoxybenzoate

C12H15NO4 — CID 6034

💊View drug profile → ethopabate
IUPACmethyl 4-acetamido-2-ethoxybenzoate
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIInChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyGOVWOKSKFSBNGD-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.83
Rot. Bonds4

About methyl 4-acetamido-2-ethoxybenzoate

methyl 4-acetamido-2-ethoxybenzoate (PubChem CID 6034) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 4-acetamido-2-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-ethoxybenzoate
PubChem CID6034
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 4-acetamido-2-ethoxybenzoate
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIInChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyGOVWOKSKFSBNGD-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propoxycaine
CID 6843
Benorylate
CID 21102
Otilonium Bromide
CID 72092
Propoxycaine Hydrochloride
CID 11078
Acetaminosalol
CID 1984
Otilonium
CID 72093
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
Methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 77721
4-Acetamidosalicylic acid
CID 65509
Methyl 4-acetamidosalicylate
CID 77719
Methyl 4-(acetylamino)-2-methoxybenzoate
CID 77720
4-Amino-o-anisic acid
CID 75599

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-ethoxybenzoate?
The IUPAC name of methyl 4-acetamido-2-ethoxybenzoate (CID 6034) is methyl 4-acetamido-2-ethoxybenzoate.
What is the SMILES notation for methyl 4-acetamido-2-ethoxybenzoate?
The canonical SMILES for methyl 4-acetamido-2-ethoxybenzoate is CCOc1cc(NC(C)=O)ccc1C(=O)OC.
What is the InChIKey of methyl 4-acetamido-2-ethoxybenzoate?
The InChIKey is GOVWOKSKFSBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of methyl 4-acetamido-2-ethoxybenzoate?
methyl 4-acetamido-2-ethoxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-2-ethoxybenzoate is sourced from PubChem (CID 6034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).