2-(dimethylamino)ethyl 4-(butylamino)benzoate

C15H24N2O2 — CID 5411

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IUPAC2-(dimethylamino)ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyGKCBAIGFKIBETG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.62
Rot. Bonds8

About 2-(dimethylamino)ethyl 4-(butylamino)benzoate

2-(dimethylamino)ethyl 4-(butylamino)benzoate (PubChem CID 5411) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-(butylamino)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-(butylamino)benzoate
PubChem CID5411
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(dimethylamino)ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyGKCBAIGFKIBETG-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
Chloroprocaine
CID 8612
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 2-(dimethylamino)ethyl 4-(butylamino)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-(butylamino)benzoate (CID 5411) is 2-(dimethylamino)ethyl 4-(butylamino)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-(butylamino)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-(butylamino)benzoate is CCCCNc1ccc(C(=O)OCCN(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-(butylamino)benzoate?
The InChIKey is GKCBAIGFKIBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-(butylamino)benzoate?
2-(dimethylamino)ethyl 4-(butylamino)benzoate has a molecular weight of 264.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-(butylamino)benzoate is sourced from PubChem (CID 5411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).