2,3-diethyl-5-(hydroxymethyl)benzamide

C12H17NO2 — CID 174782024

IUPAC2,3-diethyl-5-(hydroxymethyl)benzamide
SMILESCCc1cc(CO)cc(C(N)=O)c1CC
InChIInChI=1S/C12H17NO2/c1-3-9-5-8(7-14)6-11(12(13)15)10(9)4-2/h5-6,14H,3-4,7H2,1-2H3,(H2,13,15)
InChIKeyYDICIHUVJDASJY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.40
Rot. Bonds4

About 2,3-diethyl-5-(hydroxymethyl)benzamide

2,3-diethyl-5-(hydroxymethyl)benzamide (PubChem CID 174782024) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,3-diethyl-5-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name2,3-diethyl-5-(hydroxymethyl)benzamide
PubChem CID174782024
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,3-diethyl-5-(hydroxymethyl)benzamide
SMILESCCc1cc(CO)cc(C(N)=O)c1CC
InChIInChI=1S/C12H17NO2/c1-3-9-5-8(7-14)6-11(12(13)15)10(9)4-2/h5-6,14H,3-4,7H2,1-2H3,(H2,13,15)
InChIKeyYDICIHUVJDASJY-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-(hydroxymethyl)benzamide?
The IUPAC name of 2,3-diethyl-5-(hydroxymethyl)benzamide (CID 174782024) is 2,3-diethyl-5-(hydroxymethyl)benzamide.
What is the SMILES notation for 2,3-diethyl-5-(hydroxymethyl)benzamide?
The canonical SMILES for 2,3-diethyl-5-(hydroxymethyl)benzamide is CCc1cc(CO)cc(C(N)=O)c1CC.
What is the InChIKey of 2,3-diethyl-5-(hydroxymethyl)benzamide?
The InChIKey is YDICIHUVJDASJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-5-8(7-14)6-11(12(13)15)10(9)4-2/h5-6,14H,3-4,7H2,1-2H3,(H2,13,15).
What are the key properties of 2,3-diethyl-5-(hydroxymethyl)benzamide?
2,3-diethyl-5-(hydroxymethyl)benzamide has a molecular weight of 207.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-(hydroxymethyl)benzamide is sourced from PubChem (CID 174782024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).