4-[(dipropylamino)methoxy]benzoic acid

C14H21NO3 — CID 20993709

IUPAC4-[(dipropylamino)methoxy]benzoic acid
SMILESCCCN(CCC)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-9-15(10-4-2)11-18-13-7-5-12(6-8-13)14(16)17/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyALXDGCKKTZYDHD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds8

About 4-[(dipropylamino)methoxy]benzoic acid

4-[(dipropylamino)methoxy]benzoic acid (PubChem CID 20993709) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(dipropylamino)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(dipropylamino)methoxy]benzoic acid
PubChem CID20993709
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[(dipropylamino)methoxy]benzoic acid
SMILESCCCN(CCC)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-9-15(10-4-2)11-18-13-7-5-12(6-8-13)14(16)17/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyALXDGCKKTZYDHD-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methylparaben
CID 7456
Heptyl p-hydroxybenzoate
CID 14138
Methyl anisate
CID 8499
4-Methoxybenzoic Acid
CID 7478
Ethyl anisate
CID 60979
Octylparaben
CID 14642
Hexylparaben
CID 14127
Pentyl 4-hydroxybenzoate
CID 23019
Parethoxycaine
CID 7183
Sodium anisate
CID 23663627
4-Ethoxybenzoic acid
CID 12093
4-(Octyloxy)benzoic acid
CID 17231

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methoxy]benzoic acid?
The IUPAC name of 4-[(dipropylamino)methoxy]benzoic acid (CID 20993709) is 4-[(dipropylamino)methoxy]benzoic acid.
What is the SMILES notation for 4-[(dipropylamino)methoxy]benzoic acid?
The canonical SMILES for 4-[(dipropylamino)methoxy]benzoic acid is CCCN(CCC)COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(dipropylamino)methoxy]benzoic acid?
The InChIKey is ALXDGCKKTZYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-9-15(10-4-2)11-18-13-7-5-12(6-8-13)14(16)17/h5-8H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 4-[(dipropylamino)methoxy]benzoic acid?
4-[(dipropylamino)methoxy]benzoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methoxy]benzoic acid is sourced from PubChem (CID 20993709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).