N-[2-(diethylamino)ethyl]-4-hexoxybenzamide

C19H32N2O2 — CID 11023656

IUPACN-[2-(diethylamino)ethyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C19H32N2O2/c1-4-7-8-9-16-23-18-12-10-17(11-13-18)19(22)20-14-15-21(5-2)6-3/h10-13H,4-9,14-16H2,1-3H3,(H,20,22)
InChIKeyZVGROIFLIDCWLT-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.72
Rot. Bonds12

About N-[2-(diethylamino)ethyl]-4-hexoxybenzamide

N-[2-(diethylamino)ethyl]-4-hexoxybenzamide (PubChem CID 11023656) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-hexoxybenzamide
PubChem CID11023656
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[2-(diethylamino)ethyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C19H32N2O2/c1-4-7-8-9-16-23-18-12-10-17(11-13-18)19(22)20-14-15-21(5-2)6-3/h10-13H,4-9,14-16H2,1-3H3,(H,20,22)
InChIKeyZVGROIFLIDCWLT-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(diethylamino)ethyl]-4-hexoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-hexoxybenzamide (CID 11023656) is N-[2-(diethylamino)ethyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-hexoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NCCN(CC)CC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-hexoxybenzamide?
The InChIKey is ZVGROIFLIDCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-7-8-9-16-23-18-12-10-17(11-13-18)19(22)20-14-15-21(5-2)6-3/h10-13H,4-9,14-16H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(diethylamino)ethyl]-4-hexoxybenzamide?
N-[2-(diethylamino)ethyl]-4-hexoxybenzamide has a molecular weight of 320.48 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-hexoxybenzamide is sourced from PubChem (CID 11023656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).