N-(3-ethyl-4-hydroxyphenyl)formamide

C9H11NO2 — CID 130016232

IUPACN-(3-ethyl-4-hydroxyphenyl)formamide
SMILESCCc1cc(NC=O)ccc1O
InChIInChI=1S/C9H11NO2/c1-2-7-5-8(10-6-11)3-4-9(7)12/h3-6,12H,2H2,1H3,(H,10,11)
InChIKeyNIEOVNNGFLTLHP-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.52
Rot. Bonds3

About N-(3-ethyl-4-hydroxyphenyl)formamide

N-(3-ethyl-4-hydroxyphenyl)formamide (PubChem CID 130016232) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(3-ethyl-4-hydroxyphenyl)formamide.

Molecular Properties

Compound NameN-(3-ethyl-4-hydroxyphenyl)formamide
PubChem CID130016232
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(3-ethyl-4-hydroxyphenyl)formamide
SMILESCCc1cc(NC=O)ccc1O
InChIInChI=1S/C9H11NO2/c1-2-7-5-8(10-6-11)3-4-9(7)12/h3-6,12H,2H2,1H3,(H,10,11)
InChIKeyNIEOVNNGFLTLHP-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.52
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-(3-ethyl-4-hydroxyphenyl)formamide?
The IUPAC name of N-(3-ethyl-4-hydroxyphenyl)formamide (CID 130016232) is N-(3-ethyl-4-hydroxyphenyl)formamide.
What is the SMILES notation for N-(3-ethyl-4-hydroxyphenyl)formamide?
The canonical SMILES for N-(3-ethyl-4-hydroxyphenyl)formamide is CCc1cc(NC=O)ccc1O.
What is the InChIKey of N-(3-ethyl-4-hydroxyphenyl)formamide?
The InChIKey is NIEOVNNGFLTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-7-5-8(10-6-11)3-4-9(7)12/h3-6,12H,2H2,1H3,(H,10,11).
What are the key properties of N-(3-ethyl-4-hydroxyphenyl)formamide?
N-(3-ethyl-4-hydroxyphenyl)formamide has a molecular weight of 165.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-hydroxyphenyl)formamide is sourced from PubChem (CID 130016232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).