pentyl 4-(dimethylamino)benzoate

C14H21NO2 — CID 26890

IUPACpentyl 4-(dimethylamino)benzoate
SMILESCCCCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2)3/h7-10H,4-6,11H2,1-3H3
InChIKeyLXTZRIBXKVRLOA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds6

About pentyl 4-(dimethylamino)benzoate

pentyl 4-(dimethylamino)benzoate (PubChem CID 26890) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is pentyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Namepentyl 4-(dimethylamino)benzoate
PubChem CID26890
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepentyl 4-(dimethylamino)benzoate
SMILESCCCCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2)3/h7-10H,4-6,11H2,1-3H3
InChIKeyLXTZRIBXKVRLOA-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
Procaine Hydrochloride
CID 5795
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
Ethyl N-methylanthranilate
CID 101365

Frequently Asked Questions

What is the IUPAC name of pentyl 4-(dimethylamino)benzoate?
The IUPAC name of pentyl 4-(dimethylamino)benzoate (CID 26890) is pentyl 4-(dimethylamino)benzoate.
What is the SMILES notation for pentyl 4-(dimethylamino)benzoate?
The canonical SMILES for pentyl 4-(dimethylamino)benzoate is CCCCCOC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of pentyl 4-(dimethylamino)benzoate?
The InChIKey is LXTZRIBXKVRLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2)3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of pentyl 4-(dimethylamino)benzoate?
pentyl 4-(dimethylamino)benzoate has a molecular weight of 235.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 26890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).