2-(diethylamino)ethyl 2-acetyloxybenzoate

C15H21NO4 — CID 10245201

IUPAC2-(diethylamino)ethyl 2-acetyloxybenzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H21NO4/c1-4-16(5-2)10-11-19-15(18)13-8-6-7-9-14(13)20-12(3)17/h6-9H,4-5,10-11H2,1-3H3
InChIKeyGHIVDTCFLFLOBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.11
Rot. Bonds7

About 2-(diethylamino)ethyl 2-acetyloxybenzoate

2-(diethylamino)ethyl 2-acetyloxybenzoate (PubChem CID 10245201) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-acetyloxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-acetyloxybenzoate
PubChem CID10245201
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(diethylamino)ethyl 2-acetyloxybenzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H21NO4/c1-4-16(5-2)10-11-19-15(18)13-8-6-7-9-14(13)20-12(3)17/h6-9H,4-5,10-11H2,1-3H3
InChIKeyGHIVDTCFLFLOBV-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(diethylamino)ethyl 2-acetyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-acetyloxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 2-acetyloxybenzoate (CID 10245201) is 2-(diethylamino)ethyl 2-acetyloxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-acetyloxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-acetyloxybenzoate is CCN(CC)CCOC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of 2-(diethylamino)ethyl 2-acetyloxybenzoate?
The InChIKey is GHIVDTCFLFLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-16(5-2)10-11-19-15(18)13-8-6-7-9-14(13)20-12(3)17/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-acetyloxybenzoate?
2-(diethylamino)ethyl 2-acetyloxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-acetyloxybenzoate is sourced from PubChem (CID 10245201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).