2-(pentylamino)ethyl 4-aminobenzoate

C14H22N2O2 — CID 11964

💊View drug profile → naepaine
IUPAC2-(pentylamino)ethyl 4-aminobenzoate
SMILESCCCCCNCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3
InChIKeyUYXHCVFXDBNRQW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds8

About 2-(pentylamino)ethyl 4-aminobenzoate

2-(pentylamino)ethyl 4-aminobenzoate (PubChem CID 11964) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(pentylamino)ethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-(pentylamino)ethyl 4-aminobenzoate
PubChem CID11964
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(pentylamino)ethyl 4-aminobenzoate
SMILESCCCCCNCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3
InChIKeyUYXHCVFXDBNRQW-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
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
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)ethyl 4-aminobenzoate?
The IUPAC name of 2-(pentylamino)ethyl 4-aminobenzoate (CID 11964) is 2-(pentylamino)ethyl 4-aminobenzoate.
What is the SMILES notation for 2-(pentylamino)ethyl 4-aminobenzoate?
The canonical SMILES for 2-(pentylamino)ethyl 4-aminobenzoate is CCCCCNCCOC(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(pentylamino)ethyl 4-aminobenzoate?
The InChIKey is UYXHCVFXDBNRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3.
What are the key properties of 2-(pentylamino)ethyl 4-aminobenzoate?
2-(pentylamino)ethyl 4-aminobenzoate has a molecular weight of 250.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)ethyl 4-aminobenzoate is sourced from PubChem (CID 11964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).