N,N,3-triethyl-4-hydroxybenzamide

C13H19NO2 — CID 46914447

IUPACN,N,3-triethyl-4-hydroxybenzamide
SMILESCCc1cc(C(=O)N(CC)CC)ccc1O
InChIInChI=1S/C13H19NO2/c1-4-10-9-11(7-8-12(10)15)13(16)14(5-2)6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyATFFUJXODWMJJN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds4

About N,N,3-triethyl-4-hydroxybenzamide

N,N,3-triethyl-4-hydroxybenzamide (PubChem CID 46914447) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N,3-triethyl-4-hydroxybenzamide.

Molecular Properties

Compound NameN,N,3-triethyl-4-hydroxybenzamide
PubChem CID46914447
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N,3-triethyl-4-hydroxybenzamide
SMILESCCc1cc(C(=O)N(CC)CC)ccc1O
InChIInChI=1S/C13H19NO2/c1-4-10-9-11(7-8-12(10)15)13(16)14(5-2)6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyATFFUJXODWMJJN-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-triethyl-4-hydroxybenzamide?
The IUPAC name of N,N,3-triethyl-4-hydroxybenzamide (CID 46914447) is N,N,3-triethyl-4-hydroxybenzamide.
What is the SMILES notation for N,N,3-triethyl-4-hydroxybenzamide?
The canonical SMILES for N,N,3-triethyl-4-hydroxybenzamide is CCc1cc(C(=O)N(CC)CC)ccc1O.
What is the InChIKey of N,N,3-triethyl-4-hydroxybenzamide?
The InChIKey is ATFFUJXODWMJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10-9-11(7-8-12(10)15)13(16)14(5-2)6-3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of N,N,3-triethyl-4-hydroxybenzamide?
N,N,3-triethyl-4-hydroxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethyl-4-hydroxybenzamide is sourced from PubChem (CID 46914447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).