methyl 4-acetamido-2-butoxybenzoate

C14H19NO4 — CID 44576509

IUPACmethyl 4-acetamido-2-butoxybenzoate
SMILESCCCCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-5-8-19-13-9-11(15-10(2)16)6-7-12(13)14(17)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyNNNFGOMMTKEAJS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.61
Rot. Bonds6

About methyl 4-acetamido-2-butoxybenzoate

methyl 4-acetamido-2-butoxybenzoate (PubChem CID 44576509) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-acetamido-2-butoxybenzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-butoxybenzoate
PubChem CID44576509
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-acetamido-2-butoxybenzoate
SMILESCCCCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-5-8-19-13-9-11(15-10(2)16)6-7-12(13)14(17)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyNNNFGOMMTKEAJS-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propoxycaine
CID 6843
Benorylate
CID 21102
Otilonium Bromide
CID 72092
Ethopabate
CID 6034
Propoxycaine Hydrochloride
CID 11078
Otilonium
CID 72093
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
Methyl 4-(acetylamino)-2-methoxybenzoate
CID 77720
Methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 77721
4-Acetamidosalicylic acid
CID 65509
Hydroxytetracaine
CID 71630
Methyl 4-acetamidosalicylate
CID 77719

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-butoxybenzoate?
The IUPAC name of methyl 4-acetamido-2-butoxybenzoate (CID 44576509) is methyl 4-acetamido-2-butoxybenzoate.
What is the SMILES notation for methyl 4-acetamido-2-butoxybenzoate?
The canonical SMILES for methyl 4-acetamido-2-butoxybenzoate is CCCCOc1cc(NC(C)=O)ccc1C(=O)OC.
What is the InChIKey of methyl 4-acetamido-2-butoxybenzoate?
The InChIKey is NNNFGOMMTKEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-5-8-19-13-9-11(15-10(2)16)6-7-12(13)14(17)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-acetamido-2-butoxybenzoate?
methyl 4-acetamido-2-butoxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-2-butoxybenzoate is sourced from PubChem (CID 44576509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).