4-acetamido-3-pentan-3-yloxybenzoic acid

C14H19NO4 — CID 5275968

IUPAC4-acetamido-3-pentan-3-yloxybenzoic acid
SMILESCCC(CC)Oc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C14H19NO4/c1-4-11(5-2)19-13-8-10(14(17)18)6-7-12(13)15-9(3)16/h6-8,11H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJHIRZLCUYQGGJI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.91
Rot. Bonds6

About 4-acetamido-3-pentan-3-yloxybenzoic acid

4-acetamido-3-pentan-3-yloxybenzoic acid (PubChem CID 5275968) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-acetamido-3-pentan-3-yloxybenzoic acid.

Molecular Properties

Compound Name4-acetamido-3-pentan-3-yloxybenzoic acid
PubChem CID5275968
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-acetamido-3-pentan-3-yloxybenzoic acid
SMILESCCC(CC)Oc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C14H19NO4/c1-4-11(5-2)19-13-8-10(14(17)18)6-7-12(13)15-9(3)16/h6-8,11H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJHIRZLCUYQGGJI-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-pentan-3-yloxybenzoic acid?
The IUPAC name of 4-acetamido-3-pentan-3-yloxybenzoic acid (CID 5275968) is 4-acetamido-3-pentan-3-yloxybenzoic acid.
What is the SMILES notation for 4-acetamido-3-pentan-3-yloxybenzoic acid?
The canonical SMILES for 4-acetamido-3-pentan-3-yloxybenzoic acid is CCC(CC)Oc1cc(C(=O)O)ccc1NC(C)=O.
What is the InChIKey of 4-acetamido-3-pentan-3-yloxybenzoic acid?
The InChIKey is JHIRZLCUYQGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-11(5-2)19-13-8-10(14(17)18)6-7-12(13)15-9(3)16/h6-8,11H,4-5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-acetamido-3-pentan-3-yloxybenzoic acid?
4-acetamido-3-pentan-3-yloxybenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-pentan-3-yloxybenzoic acid is sourced from PubChem (CID 5275968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).