4-acetamido-3-heptan-4-yloxybenzoic acid

C16H23NO4 — CID 5275969

IUPAC4-acetamido-3-heptan-4-yloxybenzoic acid
SMILESCCCC(CCC)Oc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHNAPUQSUYYUWHX-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.69
Rot. Bonds8

About 4-acetamido-3-heptan-4-yloxybenzoic acid

4-acetamido-3-heptan-4-yloxybenzoic acid (PubChem CID 5275969) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-acetamido-3-heptan-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-acetamido-3-heptan-4-yloxybenzoic acid
PubChem CID5275969
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-acetamido-3-heptan-4-yloxybenzoic acid
SMILESCCCC(CCC)Oc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHNAPUQSUYYUWHX-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-heptan-4-yloxybenzoic acid?
The IUPAC name of 4-acetamido-3-heptan-4-yloxybenzoic acid (CID 5275969) is 4-acetamido-3-heptan-4-yloxybenzoic acid.
What is the SMILES notation for 4-acetamido-3-heptan-4-yloxybenzoic acid?
The canonical SMILES for 4-acetamido-3-heptan-4-yloxybenzoic acid is CCCC(CCC)Oc1cc(C(=O)O)ccc1NC(C)=O.
What is the InChIKey of 4-acetamido-3-heptan-4-yloxybenzoic acid?
The InChIKey is HNAPUQSUYYUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-acetamido-3-heptan-4-yloxybenzoic acid?
4-acetamido-3-heptan-4-yloxybenzoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-heptan-4-yloxybenzoic acid is sourced from PubChem (CID 5275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).