3-(dibutylamino)propyl 4-aminobenzoate

C18H30N2O2 — CID 2480

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IUPAC3-(dibutylamino)propyl 4-aminobenzoate
SMILESCCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKeyHQFWVSGBVLEQGA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.72
Rot. Bonds11

About 3-(dibutylamino)propyl 4-aminobenzoate

3-(dibutylamino)propyl 4-aminobenzoate (PubChem CID 2480) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(dibutylamino)propyl 4-aminobenzoate.

Molecular Properties

Compound Name3-(dibutylamino)propyl 4-aminobenzoate
PubChem CID2480
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(dibutylamino)propyl 4-aminobenzoate
SMILESCCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKeyHQFWVSGBVLEQGA-UHFFFAOYSA-N
XLogP3.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzocaine
CID 2337
Procaine
CID 4914
Padimate-O
CID 30541
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Tetracaine
CID 5411
Chloroprocaine
CID 8612
Procaine Hydrochloride
CID 5795
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
Chloroprocaine Hydrochloride
CID 441348

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)propyl 4-aminobenzoate?
The IUPAC name of 3-(dibutylamino)propyl 4-aminobenzoate (CID 2480) is 3-(dibutylamino)propyl 4-aminobenzoate.
What is the SMILES notation for 3-(dibutylamino)propyl 4-aminobenzoate?
The canonical SMILES for 3-(dibutylamino)propyl 4-aminobenzoate is CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.
What is the InChIKey of 3-(dibutylamino)propyl 4-aminobenzoate?
The InChIKey is HQFWVSGBVLEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3.
What are the key properties of 3-(dibutylamino)propyl 4-aminobenzoate?
3-(dibutylamino)propyl 4-aminobenzoate has a molecular weight of 306.45 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propyl 4-aminobenzoate is sourced from PubChem (CID 2480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).