3-ethoxy-N,N-diethyl-4-hydroxybenzamide

C13H19NO3 — CID 26324

IUPAC3-ethoxy-N,N-diethyl-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)N(CC)CC)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyCSGBRIWXMBIKEM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.27
Rot. Bonds5

About 3-ethoxy-N,N-diethyl-4-hydroxybenzamide

3-ethoxy-N,N-diethyl-4-hydroxybenzamide (PubChem CID 26324) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N,N-diethyl-4-hydroxybenzamide
PubChem CID26324
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-ethoxy-N,N-diethyl-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)N(CC)CC)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyCSGBRIWXMBIKEM-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2548

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-diethyl-4-hydroxybenzamide?
The IUPAC name of 3-ethoxy-N,N-diethyl-4-hydroxybenzamide (CID 26324) is 3-ethoxy-N,N-diethyl-4-hydroxybenzamide.
What is the SMILES notation for 3-ethoxy-N,N-diethyl-4-hydroxybenzamide?
The canonical SMILES for 3-ethoxy-N,N-diethyl-4-hydroxybenzamide is CCOc1cc(C(=O)N(CC)CC)ccc1O.
What is the InChIKey of 3-ethoxy-N,N-diethyl-4-hydroxybenzamide?
The InChIKey is CSGBRIWXMBIKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-diethyl-4-hydroxybenzamide?
3-ethoxy-N,N-diethyl-4-hydroxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethyl-4-hydroxybenzamide is sourced from PubChem (CID 26324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).