N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide

C12H17NO2 — CID 102291287

IUPACN-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide
SMILESCCc1cccc(CC)c1N(C=O)CO
InChIInChI=1S/C12H17NO2/c1-3-10-6-5-7-11(4-2)12(10)13(8-14)9-15/h5-8,15H,3-4,9H2,1-2H3
InChIKeyXZEUXRZAAUSLJG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.72
Rot. Bonds5

About N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide

N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide (PubChem CID 102291287) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide
PubChem CID102291287
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide
SMILESCCc1cccc(CC)c1N(C=O)CO
InChIInChI=1S/C12H17NO2/c1-3-10-6-5-7-11(4-2)12(10)13(8-14)9-15/h5-8,15H,3-4,9H2,1-2H3
InChIKeyXZEUXRZAAUSLJG-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide?
The IUPAC name of N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide (CID 102291287) is N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide is CCc1cccc(CC)c1N(C=O)CO.
What is the InChIKey of N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide?
The InChIKey is XZEUXRZAAUSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10-6-5-7-11(4-2)12(10)13(8-14)9-15/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide?
N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide has a molecular weight of 207.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N-(hydroxymethyl)formamide is sourced from PubChem (CID 102291287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).