N,N-diethyl-4-hydroxy-3-methoxybenzamide

C12H17NO3 — CID 9363

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IUPACN,N-diethyl-4-hydroxy-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChIKeyBQJODPIMMWWMFC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.88
Rot. Bonds4

About N,N-diethyl-4-hydroxy-3-methoxybenzamide

N,N-diethyl-4-hydroxy-3-methoxybenzamide (PubChem CID 9363) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-3-methoxybenzamide
PubChem CID9363
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN,N-diethyl-4-hydroxy-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChIKeyBQJODPIMMWWMFC-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N,N-diethyl-4-hydroxy-3-methoxybenzamide (CID 9363) is N,N-diethyl-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-3-methoxybenzamide is CCN(CC)C(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of N,N-diethyl-4-hydroxy-3-methoxybenzamide?
The InChIKey is BQJODPIMMWWMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-hydroxy-3-methoxybenzamide?
N,N-diethyl-4-hydroxy-3-methoxybenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 9363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).