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

C15H23N2O2- — CID 53435140

IUPAC4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate
SMILESCCCCNc1ccc(C(=O)[O-])c(CCN(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-5-9-16-13-6-7-14(15(18)19)12(11-13)8-10-17(2)3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,18,19)/p-1
InChIKeyZFOIRZNLUXYYDZ-UHFFFAOYSA-M
MW263.36 g/mol
LogP1.37
Rot. Bonds8

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

4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate (PubChem CID 53435140) has the molecular formula C15H23N2O2- and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate.

Molecular Properties

Compound Name4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate
PubChem CID53435140
Molecular FormulaC15H23N2O2-
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate
SMILESCCCCNc1ccc(C(=O)[O-])c(CCN(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-5-9-16-13-6-7-14(15(18)19)12(11-13)8-10-17(2)3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,18,19)/p-1
InChIKeyZFOIRZNLUXYYDZ-UHFFFAOYSA-M
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate?
The IUPAC name of 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate (CID 53435140) is 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate.
What is the SMILES notation for 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate?
The canonical SMILES for 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate is CCCCNc1ccc(C(=O)[O-])c(CCN(C)C)c1.
What is the InChIKey of 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate?
The InChIKey is ZFOIRZNLUXYYDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-9-16-13-6-7-14(15(18)19)12(11-13)8-10-17(2)3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,18,19)/p-1.
What are the key properties of 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate?
4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate has a molecular weight of 263.36 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-2-[2-(dimethylamino)ethyl]benzoate is sourced from PubChem (CID 53435140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).