N-(2,6-diethyl-4-hydroxyphenyl)formamide

C11H15NO2 — CID 121217097

IUPACN-(2,6-diethyl-4-hydroxyphenyl)formamide
SMILESCCc1cc(O)cc(CC)c1NC=O
InChIInChI=1S/C11H15NO2/c1-3-8-5-10(14)6-9(4-2)11(8)12-7-13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyLWFMMTZBANIENH-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.09
Rot. Bonds4

About N-(2,6-diethyl-4-hydroxyphenyl)formamide

N-(2,6-diethyl-4-hydroxyphenyl)formamide (PubChem CID 121217097) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(2,6-diethyl-4-hydroxyphenyl)formamide.

Molecular Properties

Compound NameN-(2,6-diethyl-4-hydroxyphenyl)formamide
PubChem CID121217097
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(2,6-diethyl-4-hydroxyphenyl)formamide
SMILESCCc1cc(O)cc(CC)c1NC=O
InChIInChI=1S/C11H15NO2/c1-3-8-5-10(14)6-9(4-2)11(8)12-7-13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyLWFMMTZBANIENH-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-4-hydroxyphenyl)formamide?
The IUPAC name of N-(2,6-diethyl-4-hydroxyphenyl)formamide (CID 121217097) is N-(2,6-diethyl-4-hydroxyphenyl)formamide.
What is the SMILES notation for N-(2,6-diethyl-4-hydroxyphenyl)formamide?
The canonical SMILES for N-(2,6-diethyl-4-hydroxyphenyl)formamide is CCc1cc(O)cc(CC)c1NC=O.
What is the InChIKey of N-(2,6-diethyl-4-hydroxyphenyl)formamide?
The InChIKey is LWFMMTZBANIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-5-10(14)6-9(4-2)11(8)12-7-13/h5-7,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(2,6-diethyl-4-hydroxyphenyl)formamide?
N-(2,6-diethyl-4-hydroxyphenyl)formamide has a molecular weight of 193.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-hydroxyphenyl)formamide is sourced from PubChem (CID 121217097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).