N-[2-(4-hydroxyphenyl)ethyl]formamide

C9H11NO2 — CID 577647

IUPACN-[2-(4-hydroxyphenyl)ethyl]formamide
SMILESO=CNCCc1ccc(O)cc1
InChIInChI=1S/C9H11NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H,10,11)
InChIKeyZRAJFHFOIYKZPF-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.68
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]formamide

N-[2-(4-hydroxyphenyl)ethyl]formamide (PubChem CID 577647) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]formamide
PubChem CID577647
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]formamide
SMILESO=CNCCc1ccc(O)cc1
InChIInChI=1S/C9H11NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H,10,11)
InChIKeyZRAJFHFOIYKZPF-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]formamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]formamide (CID 577647) is N-[2-(4-hydroxyphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]formamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]formamide is O=CNCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]formamide?
The InChIKey is ZRAJFHFOIYKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H,10,11).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]formamide?
N-[2-(4-hydroxyphenyl)ethyl]formamide has a molecular weight of 165.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]formamide is sourced from PubChem (CID 577647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).