methyl 4-acetamido-2-cyclopentyloxybenzoate

C15H19NO4 — CID 44576525

IUPACmethyl 4-acetamido-2-cyclopentyloxybenzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO4/c1-10(17)16-11-7-8-13(15(18)19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLKIJQMRWBRGZOI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.75
Rot. Bonds4

About methyl 4-acetamido-2-cyclopentyloxybenzoate

methyl 4-acetamido-2-cyclopentyloxybenzoate (PubChem CID 44576525) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-acetamido-2-cyclopentyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-cyclopentyloxybenzoate
PubChem CID44576525
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-acetamido-2-cyclopentyloxybenzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO4/c1-10(17)16-11-7-8-13(15(18)19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLKIJQMRWBRGZOI-UHFFFAOYSA-N
XLogP2.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-cyclopentyloxybenzoate?
The IUPAC name of methyl 4-acetamido-2-cyclopentyloxybenzoate (CID 44576525) is methyl 4-acetamido-2-cyclopentyloxybenzoate.
What is the SMILES notation for methyl 4-acetamido-2-cyclopentyloxybenzoate?
The canonical SMILES for methyl 4-acetamido-2-cyclopentyloxybenzoate is COC(=O)c1ccc(NC(C)=O)cc1OC1CCCC1.
What is the InChIKey of methyl 4-acetamido-2-cyclopentyloxybenzoate?
The InChIKey is LKIJQMRWBRGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(17)16-11-7-8-13(15(18)19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-acetamido-2-cyclopentyloxybenzoate?
methyl 4-acetamido-2-cyclopentyloxybenzoate has a molecular weight of 277.32 g/mol, XLogP of 2.75, 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-cyclopentyloxybenzoate is sourced from PubChem (CID 44576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).